In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2011 | 17 | No |
Popular Name: Valerenic acid Valerenic acid
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) | 3.92 | 9.97 | -50.16 | 0 | 2 | -1 | 40 | 233.331 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 7.98 | -5.37 | 1 | 2 | 0 | 37 | 234.339 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0932409A1; WO1997039355A1; WO1998013054A1; WO1998028978A1; WO1999021006A1; WO2000035467A1; WO2000057894A1 | IBM Patent Data |