UCSF

ZINC01532418

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 No

Popular Name: Perillic acid Perillic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23635-14-5 , 7694-45-3 , [23635-14-5]

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) 2.25 6.9 -47.63 0 2 -1 40 165.212 2 ↓
Lo Low (pH 4.5-6) 2.25 4.93 -4.83 1 2 0 37 166.22 2 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1990047; US2008226710 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )