UCSF

ZINC95756526

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 10 Yes

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) 0.62 -1.99 -57.14 0 4 -1 61 134.118 0
Mid Mid (pH 6-8) 0.16 -0.12 -15.37 1 4 0 58 135.126 0

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

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