UCSF

ZINC39129188

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 Yes

Other Names:

MFCD05932748

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) 0.46 4.46 -32.98 2 4 1 48 190.226 2
Mid Mid (pH 6-8) 0.46 4 -13.23 1 4 0 46 189.218 2

Activity (Go SEA)

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