UCSF

ZINC42440556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 2.36 6.07 -107.19 5 3 2 56 286.217 5
Mid Mid (pH 6-8) 2.36 3.99 -34.65 4 3 1 55 285.209 5

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Rings

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