In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 15 | Yes |
Popular Name: (2R,3S)-2-amino-1-(azepan-1-yl)-3-methyl-pentan-1-one (2R,3S)-2-amino-1-(azepan-1-yl)-…
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) | 1.57 | 4.68 | -43.21 | 3 | 3 | 1 | 48 | 213.345 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 4.4 | -7.9 | 2 | 3 | 0 | 46 | 212.337 | 3 | ↓ |