UCSF

ZINC06268124

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 17 No

CAS Number: 3569-10-6

Other Names:

Valerenic Acid

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 9.55 -47.04 0 2 -1 40 233.331 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0932409A1; WO1997039355A1; WO1998013054A1; WO1998028978A1; WO1999021006A1; WO2000035467A1; WO2000057894A1 IBM Patent Data

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