UCSF

ZINC01606292

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 9 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) -3.88 -1.45 -28.77 0 2 1 3 127.211 0
Mid Mid (pH 6-8) -3.88 1.89 -97.82 1 2 2 4 128.219 0

Activity (Go SEA)

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