UCSF

ZINC05906048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 4.03 2.1 -12.77 1 6 0 83 405.45 6
Mid Mid (pH 6-8) 3.44 1.92 -19.1 0 6 0 80 405.45 6

Activity (Go SEA)

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