In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 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) | 1.63 | 6.5 | -51.38 | 3 | 3 | 1 | 45 | 246.309 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 6.68 | -95.64 | 4 | 3 | 2 | 47 | 247.317 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 6.66 | -95.65 | 4 | 3 | 2 | 47 | 247.317 | 2 | ↓ |