In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | 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) | 2.58 | 6.64 | -45.82 | 0 | 4 | -1 | 62 | 242.254 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 7.01 | -35.54 | 1 | 4 | 0 | 63 | 243.262 | 3 | ↓ |