In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 31st, 2006 | 25 | 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) | 4.28 | 11.21 | -50.58 | 2 | 4 | 1 | 50 | 354.499 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 10.16 | -39.41 | 1 | 4 | 0 | 53 | 353.491 | 4 | ↓ |