In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
None
None
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) | 3.04 | 8.43 | -14.1 | 0 | 8 | 0 | 101 | 415.405 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 9.16 | -44.95 | 1 | 8 | 1 | 103 | 416.413 | 4 | ↓ |