UCSF

ZINC36877946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 3.30 6.62 -46.51 4 3 1 56 284.77 3
Mid Mid (pH 6-8) 3.30 6.93 -29.08 4 3 1 56 284.77 3
Mid Mid (pH 6-8) 3.30 6.96 -9.51 3 3 0 55 283.762 3

Activity (Go SEA)

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

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