UCSF

ZINC37998969

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 2.22 6.39 -30.02 2 3 1 35 229.303 5
Mid Mid (pH 6-8) 2.22 5.92 -6.4 1 3 0 34 228.295 5

Activity (Go SEA)

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