UCSF

ZINC85482195

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2013 17 Yes

CAS Number: 54-25-1

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) -2.30 -10.32 -15.78 4 9 0 138 245.191 2
Mid Mid (pH 6-8) -1.84 -13 -52.64 3 9 -1 141 244.183 2

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

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