UCSF

ZINC57932393

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 30 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) 4.11 12.6 -20.96 0 6 0 50 398.466 3
Lo Low (pH 4.5-6) 4.11 13.06 -34.73 1 6 1 51 399.474 3

Activity (Go SEA)

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

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