UCSF

ZINC52813237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 2.06 6.24 -24.12 3 3 1 43 204.297 1
Mid Mid (pH 6-8) 2.06 5.77 -6.3 2 3 0 42 203.289 1
Mid Mid (pH 6-8) 2.06 6 -26.75 3 3 1 43 204.297 1

Activity (Go SEA)

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

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