UCSF

ZINC04911671

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 22 Yes

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) 0.32 -1.5 -49.5 3 8 -1 134 318.338 5
Mid Mid (pH 6-8) -0.14 -0.15 -16.24 4 8 0 131 319.346 5

Activity (Go SEA)

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