UCSF

ZINC38149462

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 23 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) 2.31 4.75 -37.94 2 5 1 46 343.923 7
Hi High (pH 8-9.5) 2.31 2.57 -6.03 1 5 0 45 342.915 7
Mid Mid (pH 6-8) 2.31 4.8 -38.35 2 5 1 46 343.923 7

Activity (Go SEA)

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