UCSF

ZINC69562541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 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) 2.52 7.45 -52.46 2 4 1 51 332.445 6
Mid Mid (pH 6-8) 2.52 5.13 -15.55 1 4 0 50 331.437 6

Activity (Go SEA)

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

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