UCSF

ZINC49380895

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.70 12.54 -21.37 0 7 0 62 379.395 3
Mid Mid (pH 6-8) 2.70 13.03 -40.54 1 7 1 63 380.403 3

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

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