In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2010 | 19 | Yes |
Popular Name: (4aS,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamidine (4aS,8aR)-N-phenyl-2,3,4a,5,6,7,…
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) | 2.72 | 7.74 | -29.64 | 3 | 4 | 1 | 50 | 260.361 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 8.26 | -5.72 | 2 | 4 | 0 | 51 | 259.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.