In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 18 | 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) | 2.52 | 2.94 | -8.85 | 3 | 4 | 0 | 72 | 327.203 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 3.01 | -45.34 | 2 | 4 | -1 | 74 | 326.195 | 3 | ↓ |