In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 32 | No |
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) | 0.86 | 2.73 | -70.46 | 3 | 9 | -1 | 142 | 439.444 | 10 | ↓ |
Lo Low (pH 4.5-6) | 0.86 | 1.99 | -24.92 | 4 | 9 | 0 | 139 | 440.452 | 10 | ↓ |