UCSF

ZINC40287675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 21 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) -1.23 0.82 -11.75 1 7 0 86 292.339 8
Mid Mid (pH 6-8) -1.23 0.76 -10.73 1 7 0 86 292.339 8

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

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