| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S,3R)-2-amino-3-methyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pentan-1-one (2S,3R)-2-amino-3-methyl-1-[4-(2…
| 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) | 1.61 | 7.39 | -97.14 | 4 | 4 | 2 | 52 | 311.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.2 | -7.58 | 2 | 4 | 0 | 50 | 309.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 5.5 | -44.04 | 3 | 4 | 1 | 51 | 310.487 | 5 | ↓ |
