UCSF

ZINC20588223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 14 No

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) 1.73 6.1 -14.44 3 4 0 60 214.338 5
Mid Mid (pH 6-8) 2.46 5.93 -46.43 2 4 -1 57 213.33 5

Activity (Go SEA)

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