UCSF

ZINC52542197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 3.83 7.29 -33.55 2 3 1 29 293.475 8
Hi High (pH 8-9.5) 3.83 7.47 -2.13 1 3 0 24 292.467 8
Mid Mid (pH 6-8) 3.83 9.77 -101.22 3 3 2 30 294.483 8

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Rings

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