In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 18 | 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) | 4.00 | 5.42 | -50.43 | 4 | 3 | 1 | 57 | 255.426 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.00 | 5.14 | -4.98 | 3 | 3 | 0 | 55 | 254.418 | 7 | ↓ |