UCSF

ZINC62948584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 14 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) 2.26 6.58 -103.38 3 2 2 21 198.354 1
Hi High (pH 8-9.5) 2.26 3.07 -0.55 1 2 0 15 196.338 1
Hi High (pH 8-9.5) 2.26 4.34 -36.16 2 2 1 20 197.346 1
Mid Mid (pH 6-8) 2.26 5.31 -28.88 2 2 1 16 197.346 1

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

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