UCSF

ZINC98092080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 8 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) -0.94 0.32 -5.73 2 3 0 42 111.148 0
Mid Mid (pH 6-8) -0.94 1.4 -26.19 3 3 1 43 112.156 0

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

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