UCSF

ZINC94568704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2013 17 Yes

Other Names:

MFCD18428076

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) 2.50 4.97 -33.82 2 4 1 43 241.355 3
Mid Mid (pH 6-8) 2.50 2.69 -4.19 1 4 0 42 240.347 3

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

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