UCSF

ZINC27352294

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 25 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) 0.43 8.05 -13.2 2 8 0 91 341.419 4
Mid Mid (pH 6-8) 0.43 10.37 -45.48 3 8 1 93 342.427 4

Activity (Go SEA)

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