UCSF

ZINC62940775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 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) 1.34 6.33 -79.53 4 4 2 48 234.347 1
Hi High (pH 8-9.5) 1.34 5.86 -35.24 3 4 1 47 233.339 1
Hi High (pH 8-9.5) 1.34 4.29 -5.15 2 4 0 45 232.331 1
Mid Mid (pH 6-8) 1.34 4.75 -27.65 3 4 1 47 233.339 1

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

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