UCSF

ZINC37869532

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.84 3 -13.75 4 3 0 60 213.345 3
Hi High (pH 8-9.5) 1.84 3.14 -6.78 3 3 0 55 212.337 3

Activity (Go SEA)

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