UCSF

ZINC49567300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 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) -0.18 0.03 -32.4 3 4 1 46 213.301 2
Hi High (pH 8-9.5) -0.18 -2.55 -3.8 2 4 0 45 212.293 2
Hi High (pH 8-9.5) -0.18 -1.5 -35.17 3 4 1 49 213.301 2

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

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