UCSF

ZINC35628870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 2.57 1.96 -5.01 2 4 0 45 278.396 6
Mid Mid (pH 6-8) 2.57 4.23 -38.75 3 4 1 46 279.404 6
Lo Low (pH 4.5-6) 2.57 5.36 -113.67 4 4 2 51 280.412 6

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

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