UCSF

ZINC52544431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 2.29 6.1 -38.97 2 2 1 20 197.277 4
Hi High (pH 8-9.5) 2.29 4.69 -3.4 1 2 0 15 196.269 4

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Rings

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