UCSF

ZINC71499338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 13 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) 0.58 2.5 -44.84 3 2 1 37 184.234 4
Hi High (pH 8-9.5) 0.58 1.39 -4.72 2 2 0 32 183.226 4

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Rings

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