| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoic (2S)-2-amino-2-cyclopropyl-3-(4-…
| 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) | -1.89 | 3.69 | -72.03 | 4 | 5 | 1 | 75 | 242.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.89 | 2.27 | -29.97 | 3 | 5 | 0 | 74 | 241.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.89 | 4.26 | -34.86 | 3 | 5 | 0 | 74 | 241.335 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.89 | 6.41 | -146.17 | 5 | 5 | 2 | 77 | 243.351 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.89 | 4.93 | -69.96 | 4 | 5 | 1 | 75 | 242.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
