UCSF

ZINC38701004

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 14 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) 0.57 -0.75 -45.92 0 6 -1 79 186.154 0
Mid Mid (pH 6-8) 0.11 1.35 -20.93 1 6 0 76 187.162 0

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

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