UCSF

ZINC25155861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 4.64 11.33 -40.7 2 4 1 46 394.564 5
Mid Mid (pH 6-8) 4.64 11.71 -86.6 3 4 2 48 395.572 5

Activity (Go SEA)

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