UCSF

ZINC49916743

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 23 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) -0.02 12.48 -32.76 3 3 1 41 326.851 2
Mid Mid (pH 6-8) 4.00 12.1 -5.78 2 3 0 42 325.843 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.