UCSF

ZINC67726610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 1.14 6.37 -92.48 5 5 2 76 278.4 3
Hi High (pH 8-9.5) 1.14 5.58 -14.1 3 5 0 73 276.384 3
Mid Mid (pH 6-8) 1.14 6.08 -28.08 4 5 1 74 277.392 3
Mid Mid (pH 6-8) 1.14 5.91 -54.01 4 5 1 75 277.392 3

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

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