UCSF

ZINC49526639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 20 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) 3.61 7.87 -45.17 0 3 -1 41 301.416 2
Mid Mid (pH 6-8) 3.16 9.02 -12.52 1 3 0 38 302.424 2

Activity (Go SEA)

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

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