UCSF

ZINC37824902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.12 3.47 -88.38 5 5 2 73 293.411 5
Hi High (pH 8-9.5) -0.12 3.07 -38.12 4 5 1 71 292.403 5

Activity (Go SEA)

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