UCSF

ZINC95884441

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 14 Yes

Other Names:

MFCD00035176

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) 1.47 3.38 -108.75 4 2 2 42 194.253 2
Hi High (pH 8-9.5) 1.47 3.08 -28.24 3 2 1 40 193.245 2

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

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