In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 25 | 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) | 1.70 | 4.52 | -19.58 | 0 | 6 | 0 | 76 | 380.491 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 4.78 | -49.04 | 1 | 6 | 1 | 78 | 381.499 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 5.6 | -51.56 | 1 | 6 | 1 | 78 | 381.499 | 5 | ↓ |