UCSF

ZINC20054210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) -0.08 2.71 -106.32 3 4 2 34 217.357 7
Mid Mid (pH 6-8) -0.08 0.17 -43.45 2 4 1 32 216.349 7
Mid Mid (pH 6-8) -0.08 1.31 -35.59 2 4 1 29 216.349 7
Lo Low (pH 4.5-6) -0.08 5.11 -196.16 4 4 3 35 218.365 7
Lo Low (pH 4.5-6) -0.08 3.71 -82.85 3 4 2 30 217.357 7

Activity (Go SEA)

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