UCSF

ZINC86860183

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 33 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) -0.06 -2.5 -54.96 6 10 -1 184 477.877 2
Hi High (pH 8-9.5) -0.06 -1.5 -107 5 10 -2 187 476.869 2
Mid Mid (pH 6-8) -0.06 -0.5 -52.11 7 10 0 186 478.885 2

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

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