UCSF

ZINC66165608

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 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) 4.68 7.96 -2.79 1 2 0 21 235.371 6
Lo Low (pH 4.5-6) 4.68 8.46 -35.04 2 2 1 26 236.379 6

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Rings

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