UCSF

ZINC00395644

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 12 Yes

Popular Name: 3-HYDROXYMANDELIC ACID 3-HYDROXYMANDELIC ACID

Find On: PubMed — Wikipedia — Google

CAS Number: 17119-15-2

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) -0.13 -0.22 -48.08 2 4 -1 81 167.14 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005779A2; EP0816316A1; EP0840804A1; EP0840804B1; EP0850320A2; EP0850320B1; EP0868535A2; EP0868535B1; EP0962464A2; EP0962537A2; EP0992511A1; US3985738; US4112228; US4172196; US4218380; US4247597; US4297489; US6027890; WO1997027325A2; WO1997027327A2; WO1 IBM Patent Data

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