UCSF

ZINC19266887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 1.50 5.69 -117.23 4 3 2 35 249.402 5
Mid Mid (pH 6-8) 1.50 3.31 -46.15 3 3 1 34 248.394 5

Activity (Go SEA)

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