UCSF

ZINC04978059

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 23 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) 2.96 9.65 -42.33 1 4 1 32 314.405 5
Mid Mid (pH 6-8) 2.96 7.33 -8.64 0 4 0 31 313.397 5

Activity (Go SEA)

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