UCSF

ZINC68949286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 16 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) 2.08 7.1 -9.5 0 2 0 30 211.264 1
Mid Mid (pH 6-8) 2.08 7.57 -35.8 1 2 1 31 212.272 1

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

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