In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 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) | 2.17 | 8.08 | -48.67 | 1 | 6 | -1 | 95 | 307.261 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 7.62 | -83.84 | 0 | 6 | -2 | 93 | 306.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.