UCSF

ZINC53652813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 1.98 7.69 -40.67 2 4 1 38 279.452 6
Mid Mid (pH 6-8) 1.98 9.57 -124.86 3 4 2 39 280.46 6
Mid Mid (pH 6-8) 1.98 8.17 -84.4 3 4 2 39 280.46 6
Lo Low (pH 4.5-6) 1.98 10.05 -196.28 4 4 3 40 281.468 6

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

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