UCSF

ZINC06813037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 1.89 9.39 -53.22 1 6 0 78 379.46 7
Mid Mid (pH 6-8) 1.89 8.88 -41.3 2 6 1 75 380.468 7

Activity (Go SEA)

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