In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 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) | 1.69 | 6.5 | -102.53 | 3 | 3 | 2 | 24 | 249.402 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 6.48 | -87.4 | 3 | 3 | 2 | 24 | 249.402 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 4.22 | -38.8 | 2 | 3 | 1 | 23 | 248.394 | 6 | ↓ |