UCSF

ZINC22094930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 2.03 5.96 -35.25 2 5 1 46 320.457 7
Mid Mid (pH 6-8) 2.03 6.02 -37.35 2 5 1 46 320.457 7
Mid Mid (pH 6-8) 2.03 3.74 -9.4 1 5 0 45 319.449 7

Activity (Go SEA)

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