UCSF

ZINC06188334

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 6.96 12.01 -14.29 1 4 0 42 346.821 4
Mid Mid (pH 6-8) 6.96 12.44 -30.65 2 4 1 43 347.829 4

Activity (Go SEA)

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