UCSF

ZINC04382161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 26 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) 6.77 12.42 -6.31 1 3 0 29 369.94 5
Mid Mid (pH 6-8) 6.77 12.82 -25.07 2 3 1 31 370.948 5

Activity (Go SEA)

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