UCSF

ZINC68911809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 3.25 9.85 -35.08 2 4 1 46 314.453 4
Mid Mid (pH 6-8) 3.25 9.39 -7.28 1 4 0 45 313.445 4

Activity (Go SEA)

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

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