UCSF

ZINC35673738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 0.29 2.95 -43.55 4 5 1 76 249.338 2
Mid Mid (pH 6-8) 0.29 3.43 -97.55 5 5 2 77 250.346 2

Activity (Go SEA)

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