UCSF

ZINC16977238

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 1.01 0.99 -25.11 1 4 0 59 187.611 0
Mid Mid (pH 6-8) 1.47 0.54 -30.94 0 4 -1 62 186.603 0

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

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