UCSF

ZINC35368361

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) 0.51 3.64 -33.87 3 6 1 73 265.337 5
Mid Mid (pH 6-8) 0.51 5.77 -87.34 4 6 2 74 266.345 5

Activity (Go SEA)

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