UCSF

ZINC67434250

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 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) 2.12 4.8 -152.86 3 7 -1 121 376.439 4
Hi High (pH 8-9.5) 2.12 3.46 -143.97 2 7 -2 116 375.431 4

Activity (Go SEA)

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

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