UCSF

ZINC52883341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) 2.20 5.69 -34.05 3 3 1 34 262.421 4
Hi High (pH 8-9.5) 2.20 6.01 -32.99 3 3 1 34 262.421 4
Mid Mid (pH 6-8) 2.20 6.08 -90.45 4 3 2 35 263.429 4
Lo Low (pH 4.5-6) 2.20 8.3 -97.46 4 3 2 35 263.429 4

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

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