UCSF

ZINC36332168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 15 No

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) -0.56 -1.46 -55.9 3 4 1 65 233.357 2
Mid Mid (pH 6-8) -0.56 0.94 -125.69 4 4 2 66 234.365 2

Activity (Go SEA)

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

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