In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2006 | 28 | No |
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) | 1.33 | 7.7 | -41.23 | 0 | 7 | -1 | 99 | 395.395 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 6.21 | -25.44 | 1 | 7 | 0 | 96 | 396.403 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.75 | 7.25 | -14.31 | 0 | 7 | 0 | 93 | 396.403 | 4 | ↓ |