UCSF

ZINC86860269

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 19 No

CAS Number: 4936-47-4

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) 1.10 1.73 -28.04 1 8 0 110 285.281 5
Lo Low (pH 4.5-6) 1.10 2.7 -73.22 2 8 1 111 286.289 5

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

No pre-computed analogs available. Try a structural similarity search.