In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 33 | 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) | 3.42 | 12.29 | -16.08 | 0 | 6 | 0 | 54 | 443.526 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 14.15 | -55.75 | 1 | 6 | 1 | 55 | 444.534 | 4 | ↓ |