UCSF

ZINC20125944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.79 7.59 -41.64 2 2 1 20 289.365 6
Hi High (pH 8-9.5) 3.79 5.82 -2.63 1 2 0 15 288.357 6
Mid Mid (pH 6-8) 3.79 9.27 -119.64 3 2 2 21 290.373 6
Mid Mid (pH 6-8) 3.79 8.52 -34.16 2 2 1 16 289.365 6

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Rings

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