UCSF

ZINC54931649

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 0.40 2.3 -84.84 3 3 2 24 185.315 2
Hi High (pH 8-9.5) 0.40 0.04 -36.64 2 3 1 23 184.307 2
Hi High (pH 8-9.5) 0.40 -1.63 -1.32 1 3 0 19 183.299 2
Mid Mid (pH 6-8) 0.40 0.63 -33.63 2 3 1 20 184.307 2

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

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