In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2009 | 16 | 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) | 1.58 | 7.35 | -43.09 | 3 | 3 | 1 | 45 | 216.308 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 7.33 | -51.21 | 3 | 3 | 1 | 45 | 216.308 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.58 | 7.81 | -102.87 | 4 | 3 | 2 | 47 | 217.316 | 6 | ↓ |