UCSF

ZINC54931553

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) 0.77 1.39 -32.58 2 3 1 20 198.334 3
Mid Mid (pH 6-8) 0.77 1.34 -32.64 2 3 1 20 198.334 3
Mid Mid (pH 6-8) 0.77 3.01 -84.05 3 3 2 24 199.342 3
Lo Low (pH 4.5-6) 0.77 3.64 -95.67 3 3 2 21 199.342 3

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

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