UCSF

ZINC06782136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 23 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) 3.13 6.81 -12.88 2 5 0 71 344.362 6
Mid Mid (pH 6-8) 3.13 6.87 -15.48 2 5 0 71 344.362 6

Activity (Go SEA)

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