UCSF

ZINC67541123

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 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) 2.35 7.8 -68.05 2 7 0 94 378.498 6
Hi High (pH 8-9.5) 2.35 6.79 -45.07 1 7 -1 93 377.49 6

Activity (Go SEA)

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

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