UCSF

ZINC57517814

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 15 Yes

Other Names:

MFCD16621348

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) 2.50 5 -44.37 3 3 1 54 228.699 4
Mid Mid (pH 6-8) 2.50 4.76 -4.8 2 3 0 52 227.691 4

Activity (Go SEA)

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