In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 13 | 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) | 0.15 | 2.43 | -91.68 | 4 | 3 | 2 | 35 | 187.331 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.15 | 2.14 | -107.57 | 4 | 3 | 2 | 35 | 187.331 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.15 | 0.16 | -38.13 | 3 | 3 | 1 | 34 | 186.323 | 3 | ↓ |