UCSF

ZINC55079025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.45 6.44 -104.8 4 3 2 35 275.44 3
Hi High (pH 8-9.5) 0.45 4.3 -1.96 2 3 0 32 273.424 3
Mid Mid (pH 6-8) 0.45 6.16 -33.08 3 3 1 34 274.432 3

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

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