UCSF

ZINC05114385

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 25 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) 4.19 8.57 -44.9 0 4 -1 66 345.459 2
Mid Mid (pH 6-8) 3.48 1.47 -6.06 0 4 0 60 346.467 2

Activity (Go SEA)

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