UCSF

ZINC54931592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 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) 1.80 3.21 -42.74 2 2 1 20 209.338 1
Mid Mid (pH 6-8) 1.80 1.54 -2.94 1 2 0 15 208.33 1
Lo Low (pH 4.5-6) 1.80 5.25 -118.42 3 2 2 21 210.346 1

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

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