In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 14 | 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) | 0.31 | 5.84 | -12.22 | 0 | 3 | 0 | 58 | 193.246 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 5.9 | -32.21 | 0 | 3 | -1 | 64 | 192.238 | 2 | ↓ |