In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 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) | 1.29 | 4.97 | -36.21 | 3 | 4 | 1 | 45 | 249.382 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 3.88 | -43.33 | 3 | 4 | 1 | 49 | 249.382 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 6.14 | -113.96 | 4 | 4 | 2 | 50 | 250.39 | 3 | ↓ |