In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | Yes |
Popular Name: (2S)-1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-amino-pentan-1-one (2S)-1-[(4aS,8aR)-2,3,4a,5,6,7,8…
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) | 1.20 | 3.42 | -43.92 | 3 | 4 | 1 | 57 | 241.355 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 3.11 | -6.08 | 2 | 4 | 0 | 56 | 240.347 | 3 | ↓ |