UCSF

ZINC62948476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 1.86 4.91 -45 2 4 1 38 291.415 3
Hi High (pH 8-9.5) 1.86 6.05 -40.9 2 4 1 35 291.415 3
Hi High (pH 8-9.5) 1.86 3.64 -6.07 1 4 0 34 290.407 3
Lo Low (pH 4.5-6) 1.86 7.32 -122.67 3 4 2 40 292.423 3

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

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