UCSF

ZINC06420027

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 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) 2.02 0.55 -19.45 1 8 0 98 415.442 10
Mid Mid (pH 6-8) 1.43 0.34 -28.63 0 8 0 95 415.442 10

Activity (Go SEA)

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