UCSF

ZINC71495113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 12 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) 1.72 1.57 -3.07 1 2 0 21 163.22 2
Mid Mid (pH 6-8) 1.72 3.29 -37.67 2 2 1 26 164.228 2

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

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