In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 20 | Yes |
Popular Name: N-[3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]propyl]cyclohexanamine N-[3-[(4aS,8aR)-2,3,4a,5,6,7,8,8…
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) | 3.54 | 6.24 | -39.81 | 2 | 3 | 1 | 29 | 281.464 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 8.44 | -109.95 | 3 | 3 | 2 | 30 | 282.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.