UCSF

ZINC50245557

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.47 0.54 -43.53 3 3 1 34 212.361 3
Mid Mid (pH 6-8) 0.47 5.04 -101.03 4 3 2 35 213.369 3
Mid Mid (pH 6-8) 0.47 3.01 -84.99 4 3 2 35 213.369 3
Mid Mid (pH 6-8) 0.47 2.96 -104.58 4 3 2 35 213.369 3

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

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