In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2009 | 45 | No |
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) | 0.07 | 3.03 | -18.19 | 7 | 13 | 0 | 192 | 623.755 | 16 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 3.91 | -53.63 | 8 | 13 | 1 | 196 | 624.763 | 16 | ↓ |