UCSF

ZINC06970842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 27 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) 4.67 12.37 -16.32 1 4 0 46 363.367 3
Mid Mid (pH 6-8) 4.67 12.81 -34.06 2 4 1 48 364.375 3

Activity (Go SEA)

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