In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 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) | 1.48 | 6.75 | -39.49 | 1 | 3 | 1 | 31 | 212.361 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.48 | 6.39 | -43.97 | 1 | 3 | 1 | 31 | 212.361 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.48 | 8.87 | -117.11 | 2 | 3 | 2 | 33 | 213.369 | 9 | ↓ |