UCSF

ZINC42441962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 1.54 3.79 -43.64 4 5 1 72 252.338 6
Mid Mid (pH 6-8) 1.54 1.74 -6.79 3 5 0 71 251.33 6

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Rings

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