UCSF

ZINC54796398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 1.02 3.81 -50.18 5 6 1 94 272.332 4
Hi High (pH 8-9.5) 1.02 2.67 -12.42 4 6 0 89 271.324 4
Mid Mid (pH 6-8) 1.02 4.25 -121.92 6 6 2 95 273.34 4
Mid Mid (pH 6-8) 1.02 3.12 -41.49 5 6 1 91 272.332 4

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

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