UCSF

ZINC27316753

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 19 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) 0.85 0.33 -52.69 2 7 -1 112 282.349 2
Lo Low (pH 4.5-6) 1.03 0.68 -30.71 3 7 0 114 283.357 2

Activity (Go SEA)

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

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