In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2008 | 22 | 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) | 0.08 | 2.03 | -36.18 | 4 | 10 | 0 | 138 | 345.277 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | 2.29 | -65.39 | 5 | 10 | 1 | 139 | 346.285 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | -2.09 | -64.84 | 5 | 10 | 1 | 139 | 346.285 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.84e+00 g/l | DrugBank-experimental |