UCSF

ZINC22694183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 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) 3.30 7.2 -12.89 1 5 0 54 385.533 7
Mid Mid (pH 6-8) 3.30 9.27 -49.9 2 5 1 56 386.541 7

Activity (Go SEA)

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