UCSF

ZINC37374167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.98 8.79 -160.87 4 4 3 38 293.479 8
Mid Mid (pH 6-8) 1.98 6.65 -86.52 3 4 2 37 292.471 8

Activity (Go SEA)

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