UCSF

ZINC55152839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 1.81 4.08 -9 2 7 0 91 332.404 8
Mid Mid (pH 6-8) 1.81 4.46 -37.21 3 7 1 92 333.412 8
Mid Mid (pH 6-8) 1.81 6.03 -39.02 3 7 1 92 333.412 8
Mid Mid (pH 6-8) 1.78 3.42 -36.03 1 7 1 87 331.396 8

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

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