UCSF

ZINC34169723

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 24 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) 2.78 8.39 -94.45 4 4 2 40 328.504 4
Mid Mid (pH 6-8) 2.78 6.17 -38.32 3 4 1 39 327.496 4

Activity (Go SEA)

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