In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 38 | 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) | 3.70 | 10.45 | -14.65 | 0 | 9 | 0 | 91 | 522.598 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 12.73 | -50.6 | 1 | 9 | 1 | 92 | 523.606 | 9 | ↓ |