UCSF

ZINC37225125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) -1.93 -5.34 -44.85 1 7 -1 104 184.131 2
Mid Mid (pH 6-8) -2.39 -2.67 -13.8 2 7 0 101 185.139 2

Activity (Go SEA)

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

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