In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 27 | No |
Popular Name: 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-…
None
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) | 6.36 | 3.47 | -51.73 | 0 | 3 | -1 | 57 | 361.461 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.12e-04 g/l | DrugBank-experimental |