UCSF

ZINC22767785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) -0.47 2.7 -8.72 1 8 0 81 319.365 4
Mid Mid (pH 6-8) -0.47 5.04 -49.07 2 8 1 83 320.373 4
Lo Low (pH 4.5-6) -4.19 5.32 -103.6 3 8 2 84 321.381 4

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

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