In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 33 | Yes |
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) | 4.32 | 12.44 | -49.65 | 3 | 6 | 1 | 76 | 463.627 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 10.5 | -14.57 | 2 | 6 | 0 | 74 | 462.619 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.