UCSF

ZINC66969780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 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) 1.40 3.77 -42.27 3 4 1 55 234.323 5
Mid Mid (pH 6-8) 1.40 2.75 -9.43 2 4 0 50 233.315 5

Activity (Go SEA)

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