UCSF

ZINC41227184

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 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) 1.22 5.92 -83.64 3 3 2 21 215.385 6
Hi High (pH 8-9.5) 1.22 3.44 -32.65 2 3 1 20 214.377 6

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Rings

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