UCSF

ZINC66068316

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 21 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) 2.62 5.47 -45.01 3 5 1 64 295.403 11
Hi High (pH 8-9.5) 2.62 4.12 -9.19 2 5 0 60 294.395 11

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Rings

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