UCSF

ZINC49571889

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.84 -1.09 -101.96 0 6 -2 93 377.241 4
Mid Mid (pH 6-8) 2.38 1.04 -41.7 1 6 -1 90 378.249 4
Lo Low (pH 4.5-6) 2.38 1.01 -11.83 2 6 0 88 379.257 4

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

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