UCSF

ZINC24248098

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 22 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) 3.37 6.38 -10.82 2 3 0 49 354.258 2
Mid Mid (pH 6-8) 3.37 7.04 -43.07 1 3 -1 52 353.25 2

Activity (Go SEA)

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