UCSF

ZINC05932790

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 24 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) 2.14 0.92 -15.09 4 7 0 100 374.224 4
Mid Mid (pH 6-8) 2.14 1.33 -33.44 5 7 1 101 375.232 4

Activity (Go SEA)

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