UCSF

ZINC54991508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 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) 0.86 1.63 -13.35 3 8 0 100 378.351 8
Mid Mid (pH 6-8) 0.86 3.64 -44.1 4 8 1 101 379.359 8

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

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