UCSF

ZINC54930960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) 2.96 6.43 -29.67 3 3 1 53 226.303 1
Mid Mid (pH 6-8) 2.96 6.32 -7.94 2 3 0 52 225.295 1
Lo Low (pH 4.5-6) 2.96 6.49 -29.93 3 3 1 53 226.303 1

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

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