In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 16 | 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) | 0.04 | 0.95 | -9.73 | 3 | 5 | 0 | 77 | 221.26 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | 1.3 | -37.2 | 4 | 5 | 1 | 78 | 222.268 | 3 | ↓ |