UCSF

ZINC05601967

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 18 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) -0.60 3.17 -40.14 1 7 -1 109 268.274 4
Mid Mid (pH 6-8) -0.45 1.86 -45.54 1 7 -1 115 268.274 4

Activity (Go SEA)

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