In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2010 | 21 | 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) | 3.41 | 6.3 | -49.76 | 1 | 5 | -1 | 86 | 369.216 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 6.36 | -105.92 | 0 | 5 | -2 | 88 | 368.208 | 4 | ↓ |