In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 21 | 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) | 0.56 | 5.61 | -46.63 | 0 | 7 | -1 | 86 | 291.283 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.56 | 6.3 | -33.16 | 1 | 7 | 0 | 87 | 292.291 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.