UCSF

ZINC14983420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 No

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) -0.36 1.92 -49.13 1 5 0 82 177.139 1
Mid Mid (pH 6-8) 1.42 0.07 -110.1 1 5 -2 92 176.131 1
Mid Mid (pH 6-8) 1.42 -0.7 -48.53 2 5 -1 89 177.139 1
Mid Mid (pH 6-8) 0.96 1.9 -55.85 2 5 -1 89 177.139 1

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

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