UCSF

ZINC04568285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 25 No

Other Names:

MFCD03231394

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) 2.45 5.96 -10.39 2 6 0 101 346.379 3
Hi High (pH 8-9.5) 2.45 7.03 -44.99 1 6 -1 104 345.371 3
Hi High (pH 8-9.5) 2.45 7.03 -44.66 1 6 -1 104 345.371 3

Activity (Go SEA)

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