UCSF

ZINC20135521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 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) 3.54 6.3 -5.55 1 3 0 30 223.364 5
Mid Mid (pH 6-8) 3.54 6.4 -26.63 2 3 1 31 224.372 5

Activity (Go SEA)

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