UCSF

ZINC63009790

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 3.69 7.73 -8.85 2 3 0 44 285.297 2
Mid Mid (pH 6-8) 3.69 8.23 -25.9 3 3 1 45 286.305 2

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

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