UCSF

ZINC38901297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 15 Yes

Other Names:

MFCD09723249

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) 1.62 5.97 -120.01 4 2 2 32 208.349 5
Mid Mid (pH 6-8) 1.62 4.71 -37.96 3 2 1 31 207.341 5

Activity (Go SEA)

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