In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | 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) | 1.45 | 9.69 | -74.44 | 1 | 5 | 0 | 65 | 294.395 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 7.42 | -61.1 | 0 | 5 | -1 | 64 | 293.387 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.45 | 7.21 | -49.85 | 2 | 5 | 1 | 62 | 295.403 | 3 | ↓ |