UCSF

ZINC14252892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 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) 1.92 2.77 -8.36 0 4 0 41 248.392 6
Mid Mid (pH 6-8) 1.92 4.97 -47.23 1 4 1 42 249.4 6

Activity (Go SEA)

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