UCSF

ZINC20246696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.84 6.01 -95.43 3 4 2 41 241.379 1
Hi High (pH 8-9.5) 0.84 3.47 -38.67 2 4 1 40 240.371 1
Hi High (pH 8-9.5) 0.84 4.75 -41.81 2 4 1 37 240.371 1
Hi High (pH 8-9.5) 0.84 2.21 -5.96 1 4 0 36 239.363 1

Activity (Go SEA)

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