In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 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) | 1.87 | 5.92 | -15.4 | 2 | 8 | 0 | 119 | 422.514 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 8.27 | -56.23 | 3 | 8 | 1 | 120 | 423.522 | 5 | ↓ |