UCSF

ZINC48568086

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 15 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) 0.98 7.29 -48.21 1 4 1 55 213.301 8
Mid Mid (pH 6-8) 0.98 5.36 -12.73 0 4 0 53 212.293 8

Activity (Go SEA)

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