UCSF

ZINC20125752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 2.42 3.57 -38.03 3 3 1 40 237.367 5
Hi High (pH 8-9.5) 2.42 4.35 -58.93 2 3 0 43 236.359 5
Mid Mid (pH 6-8) 2.42 4.46 -33.86 3 3 1 37 237.367 5
Lo Low (pH 4.5-6) 2.42 5.68 -117.25 4 3 2 41 238.375 5

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Rings

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