UCSF

ZINC65547382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 15 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) 0.99 0.87 -80.36 2 6 1 81 201.213 2
Mid Mid (pH 6-8) 0.99 0.88 -101.33 3 6 2 82 202.221 2
Mid Mid (pH 6-8) 0.99 1.33 -110.04 3 6 2 82 202.221 2
Mid Mid (pH 6-8) 0.99 0.88 -80.47 2 6 1 81 201.213 2

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

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