In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 19 | 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) | 1.86 | 7.44 | -6.42 | 1 | 2 | 0 | 25 | 270.401 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 8.62 | -50.86 | 2 | 2 | 1 | 29 | 271.409 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.