In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 24 | Yes |
None
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) | 7.01 | 13.11 | -5.76 | 2 | 4 | 0 | 50 | 400.096 | 4 | ↓ |
Lo Low (pH 4.5-6) | 7.01 | 13.29 | -34.21 | 3 | 4 | 1 | 51 | 401.104 | 4 | ↓ |