UCSF

ZINC36870068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 No

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) 0.04 -1.49 -15.05 2 5 0 76 261.372 3
Mid Mid (pH 6-8) 0.04 -0.78 -42.39 3 5 1 78 262.38 3
Lo Low (pH 4.5-6) 0.04 0.99 -53.62 3 5 1 77 262.38 3

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

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