UCSF

ZINC00001018

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 19 Yes

Popular Name: BENZOYLPAS BENZOYLPAS

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13898-58-3 , 5631-00-5

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) 2.74 5.13 -56.2 2 5 -1 89 256.237 3 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial, tuberculostatic SMDC Pharmakon

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