UCSF

ZINC22688946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 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) 2.41 3.25 -22.07 4 7 0 118 395.44 6
Mid Mid (pH 6-8) 2.41 3.32 -48.18 3 7 -1 120 394.432 6

Activity (Go SEA)

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