UCSF

ZINC48632625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 2.44 7.04 -42.27 2 4 1 46 283.436 6
Hi High (pH 8-9.5) 2.44 5.69 -5.56 1 4 0 42 282.428 6
Mid Mid (pH 6-8) 2.44 8.95 -100.82 3 4 2 47 284.444 6

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

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