UCSF

ZINC69498908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 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) 0.84 8.62 -32.3 3 3 1 45 270.4 4
Hi High (pH 8-9.5) 0.84 7.89 -5.95 2 3 0 44 269.392 4
Mid Mid (pH 6-8) 0.84 8.55 -110.01 4 3 2 47 271.408 4
Mid Mid (pH 6-8) 0.84 8.19 -47.91 3 3 1 45 270.4 4

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

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