UCSF

ZINC98023168

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2014 17 Yes

CAS Number: 102518-79-6

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.07 3.98 -57.16 4 3 1 61 229.303 0
Hi High (pH 8-9.5) 2.07 3.76 -9.42 3 3 0 59 228.295 0

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

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