UCSF

ZINC04901641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 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) 1.51 -0.96 -12.01 2 5 0 79 287.246 3
Mid Mid (pH 6-8) 0.92 -1.16 -16.76 1 5 0 76 287.246 3

Activity (Go SEA)

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