UCSF

ZINC52045606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 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) -2.20 7.53 -27.97 3 4 1 50 234.323 2
Mid Mid (pH 6-8) 2.02 7.14 -6.04 2 4 0 51 233.315 2

Activity (Go SEA)

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

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