In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 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) | 2.84 | 6.46 | -42.15 | 3 | 6 | 1 | 73 | 361.491 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 5.46 | -23.05 | 2 | 6 | 0 | 71 | 360.483 | 8 | ↓ |