UCSF

ZINC67489996

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 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) 1.99 7.91 -54.45 2 8 1 74 380.476 1
Mid Mid (pH 6-8) 1.99 5.54 -14.98 1 8 0 73 379.468 1
Lo Low (pH 4.5-6) 1.99 8.34 -88.92 3 8 2 76 381.484 1

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

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