| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 1-[4-[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)butyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S,2R)-2-amino-1-(3-methy…
| 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) | 1.47 | 5.95 | -44.2 | 3 | 4 | 1 | 51 | 310.487 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 5.04 | -8.71 | 2 | 4 | 0 | 50 | 309.479 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 6.96 | -39.67 | 3 | 4 | 1 | 51 | 310.487 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 7.25 | -124.71 | 4 | 4 | 2 | 52 | 311.495 | 4 | ↓ |
