In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 23 | 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) | 5.54 | 12.44 | -35.76 | 2 | 1 | 1 | 17 | 300.425 | 2 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 11.62 | -4.13 | 1 | 1 | 0 | 12 | 299.417 | 2 | ↓ |