UCSF

ZINC62545337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 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) 2.15 4.07 -10.92 1 6 0 66 293.319 8
Mid Mid (pH 6-8) 2.15 5.61 -44.39 2 6 1 71 294.327 8

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

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