UCSF

ZINC21788926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.46 8.98 -7.83 1 2 0 25 262.356 3
Mid Mid (pH 6-8) 4.46 9.39 -32.35 2 2 1 26 263.364 3

Activity (Go SEA)

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