UCSF

ZINC52425425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 No

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) 0.96 3.81 -39.15 2 3 1 33 258.436 5
Hi High (pH 8-9.5) 0.96 2.42 -5.74 1 3 0 28 257.428 5
Mid Mid (pH 6-8) 0.96 5.91 -92.96 3 3 2 34 259.444 5

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

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