UCSF

ZINC71791509

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 30 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) 2.66 13.15 -30.03 3 5 0 94 421.88 7
Hi High (pH 8-9.5) 2.66 12.92 -50.51 2 5 -1 92 420.872 7

Activity (Go SEA)

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

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