UCSF

ZINC98090717

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 11 Yes

CAS Number: 687-64-9

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) -2.27 1.7 -82.4 5 4 1 84 161.225 6
Hi High (pH 8-9.5) -2.27 0.65 -69.06 4 4 0 80 160.217 6

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

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