UCSF

ZINC69493258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 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) 2.50 8.68 -17.01 0 5 0 41 338.455 3
Mid Mid (pH 6-8) 2.50 9.23 -30.4 1 5 1 43 339.463 3
Lo Low (pH 4.5-6) 2.50 10.84 -45.76 1 5 1 43 339.463 3

Activity (Go SEA)

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

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