UCSF

ZINC43417449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.72 5.23 -114.62 5 5 2 70 295.427 9
Mid Mid (pH 6-8) 1.72 4.85 -38.16 4 5 1 69 294.419 9

Activity (Go SEA)

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