UCSF

ZINC63146116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 17 Yes

CAS Number: 74126-25-3

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) 1.23 4.03 -33.54 3 4 1 66 233.291 5
Mid Mid (pH 6-8) 1.23 4.37 -108.17 4 4 2 68 234.299 5

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

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