UCSF

ZINC06665300

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 18 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) 0.08 2.47 -21.08 1 7 0 89 269.33 4
Mid Mid (pH 6-8) 0.08 2.92 -40.52 2 7 1 91 270.338 4

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

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