In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 30 | 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) | 3.74 | 9.47 | -16.74 | 0 | 6 | 0 | 55 | 426.538 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.74 | 11.68 | -56.18 | 1 | 6 | 1 | 56 | 427.546 | 6 | ↓ |