In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 10th, 2010 | 34 | 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) | 4.74 | 14.28 | -16.12 | 2 | 8 | 0 | 90 | 461.566 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.91 | 14.83 | -57.21 | 3 | 8 | 1 | 95 | 462.574 | 8 | ↓ |