UCSF

ZINC49336814

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 0.72 1.67 -51.37 4 4 1 63 236.339 7
Hi High (pH 8-9.5) 0.72 0.3 -8.28 3 4 0 58 235.331 7
Mid Mid (pH 6-8) 0.72 2.63 -41.76 4 4 1 60 236.339 7

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Rings

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