UCSF

ZINC86860186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 18 Yes

CAS Number: 510-15-6

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) 2.75 7.23 -7.48 1 3 0 47 262.692 4
Mid Mid (pH 6-8) 2.75 7.85 -48.28 0 3 -1 49 261.684 4

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

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