UCSF

ZINC52851224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.42 7.77 -9.14 0 3 0 24 234.343 5
Lo Low (pH 4.5-6) 2.42 8.52 -23.4 1 3 0 25 235.351 5

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Rings

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