| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | Yes |
Popular Name: 2-[4-[(2S,3R)-2-amino-3-methyl-pentanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(2S,3R)-2-amino-3-methyl-p…
| 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) | -0.95 | 1.5 | -96.21 | 6 | 6 | 2 | 95 | 272.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.95 | -0.13 | -47.31 | 5 | 6 | 1 | 94 | 271.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.95 | 1.2 | -40.29 | 5 | 6 | 1 | 94 | 271.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.95 | -0.43 | -9.7 | 4 | 6 | 0 | 93 | 270.377 | 5 | ↓ |
