UCSF

ZINC52883303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) 1.42 4.09 -40.52 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 1.42 4.02 -2.65 2 3 0 38 248.37 4
Mid Mid (pH 6-8) 1.42 5.67 -34.7 3 3 1 40 249.378 4
Lo Low (pH 4.5-6) 1.42 5.91 -120.93 4 3 2 41 250.386 4

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

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