In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2014 | 15 | 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) | 2.84 | 7.14 | -7.8 | 1 | 2 | 0 | 29 | 196.253 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 7.15 | -8.08 | 1 | 2 | 0 | 29 | 196.253 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 7.58 | -24.55 | 2 | 2 | 1 | 30 | 197.261 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.