UCSF

ZINC06309004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 2.54 9.78 -52.89 0 6 -1 83 399.426 6
Mid Mid (pH 6-8) 2.99 8.05 -29.38 1 6 0 80 400.434 5
Mid Mid (pH 6-8) 1.96 9.05 -20.23 0 6 0 77 400.434 6

Activity (Go SEA)

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