In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 22 | 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) | 3.53 | 9.88 | -11.62 | 0 | 3 | 0 | 54 | 312.369 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 10.08 | -47.21 | 1 | 3 | 1 | 55 | 313.377 | 4 | ↓ |