UCSF

ZINC52883148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 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) 1.14 3.78 -8.9 3 4 0 68 269.348 4
Mid Mid (pH 6-8) 1.14 4.08 -48.72 4 4 1 70 270.356 4
Lo Low (pH 4.5-6) 1.14 4.46 -105.31 5 4 2 71 271.364 4

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

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