UCSF

ZINC04909287

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 3.34 7.9 -10.62 1 6 0 67 383.835 4
Mid Mid (pH 6-8) 3.34 8.05 -13.75 1 6 0 67 383.835 4

Activity (Go SEA)

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