| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 12th, 2008 | 21 | Yes |
Popular Name: (2S)-2-[[(2R)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoic (2S)-2-[[(2R)-2-amino-3-(1H-imid…
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.88 | 2.71 | -99.57 | 7 | 9 | 1 | 155 | 293.307 | 7 | ↓ |
| Hi High (pH 8-9.5) | -3.88 | 1.87 | -65.03 | 5 | 9 | -1 | 153 | 291.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | -3.88 | 2.2 | -60.28 | 5 | 9 | -1 | 153 | 291.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | -3.88 | 2.5 | -69.52 | 5 | 9 | -1 | 153 | 291.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | -3.88 | 1.87 | -54.92 | 5 | 9 | -1 | 153 | 291.291 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.88 | 2.84 | -62.7 | 6 | 9 | 0 | 154 | 292.299 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.88 | 2.84 | -58.43 | 6 | 9 | 0 | 154 | 292.299 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.88 | 3.3 | -92.47 | 7 | 9 | 1 | 155 | 293.307 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.88 | 2.22 | -66.51 | 6 | 9 | 0 | 154 | 292.299 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.88 | 2.26 | -69.51 | 6 | 9 | 0 | 154 | 292.299 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -3.88 | 3.18 | -170.96 | 8 | 9 | 2 | 157 | 294.315 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -3.88 | 3.27 | -169.73 | 8 | 9 | 2 | 157 | 294.315 | 7 | ↓ |
