UCSF

ZINC44995092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 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) 0.92 4.18 -83.94 4 3 2 35 227.396 4
Hi High (pH 8-9.5) 0.92 2.84 -41.56 3 3 1 34 226.388 4
Mid Mid (pH 6-8) 0.92 5.89 -104.55 4 3 2 35 227.396 4
Lo Low (pH 4.5-6) 0.92 6.27 -187.69 5 3 3 37 228.404 4

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

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