In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 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) | 1.64 | 5.1 | -41.66 | 3 | 4 | 1 | 46 | 250.366 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 6.5 | -109.73 | 4 | 4 | 2 | 50 | 251.374 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 3.97 | -47.68 | 3 | 4 | 1 | 49 | 250.366 | 7 | ↓ |