In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 17th, 2008 | 20 | 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) | -0.14 | 8.66 | -309.47 | 0 | 8 | -4 | 161 | 286.236 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.14 | 6.92 | -221.49 | 1 | 8 | -3 | 158 | 287.244 | 10 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.89e+00 g/l | DrugBank-experimental |