In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 11 | 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) | -0.18 | 3.21 | -29.58 | 2 | 3 | 1 | 31 | 150.205 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.18 | 2.75 | -9.03 | 1 | 3 | 0 | 30 | 149.197 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.18 | 4.59 | -106.07 | 3 | 3 | 2 | 36 | 151.213 | 3 | ↓ |