| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: (2S)-2-amino-N-[(1R)-2-(diethylamino)-1-methyl-ethyl]butanediamide (2S)-2-amino-N-[(1R)-2-(diethyla…
| 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) | -0.38 | -0.22 | -94.65 | 7 | 6 | 2 | 104 | 246.355 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | -2.39 | -34.04 | 5 | 6 | 0 | 109 | 244.339 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | -1.2 | -44.11 | 6 | 6 | 1 | 103 | 245.347 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | -1.94 | -51.04 | 6 | 6 | 1 | 111 | 245.347 | 8 | ↓ |
