UCSF

ZINC48794739

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 21 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) 3.46 8.99 -45.1 2 4 1 43 347.236 5
Hi High (pH 8-9.5) 3.46 7.53 -10.49 1 4 0 39 346.228 5
Mid Mid (pH 6-8) 3.46 9.43 -87.67 3 4 2 44 348.244 5

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

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