In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 31 | 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) | 2.98 | 12.74 | -20.31 | 0 | 6 | 0 | 58 | 414.509 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 13.28 | -44.11 | 1 | 6 | 1 | 60 | 415.517 | 4 | ↓ |