UCSF

ZINC43425642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.26 3.75 -36.14 4 5 1 77 261.349 2
Mid Mid (pH 6-8) 0.26 4.85 -8.8 3 5 0 75 260.341 2
Lo Low (pH 4.5-6) 0.26 4.17 -92.44 5 5 2 78 262.357 2

Activity (Go SEA)

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