| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2R,3S)-2-amino-3-methyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pentan-1-one (2R,3S)-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 | 7.45 | -100.64 | 4 | 4 | 2 | 52 | 311.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.22 | -9.37 | 2 | 4 | 0 | 50 | 309.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 5.56 | -44.1 | 3 | 4 | 1 | 51 | 310.487 | 5 | ↓ |
