UCSF

ZINC55079821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 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) -0.49 4.47 -92.47 5 5 2 64 290.411 3
Hi High (pH 8-9.5) -0.49 2.22 -5.35 3 5 0 62 288.395 3
Mid Mid (pH 6-8) -0.49 4.15 -43.07 4 5 1 63 289.403 3

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

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