In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2010 | 15 | 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) | 1.93 | 1.84 | -8.34 | 2 | 3 | 0 | 41 | 245.109 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 3.17 | -51.76 | 3 | 3 | 1 | 46 | 246.117 | 1 | ↓ |