UCSF

ZINC66066370

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 28 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) -1.33 -0.59 -97.18 3 10 -2 163 400.407 9
Lo Low (pH 4.5-6) -1.52 2.07 -53.32 4 10 -1 157 401.415 9

Activity (Go SEA)

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

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