UCSF

ZINC04592740

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 19 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) 1.37 3.73 -45.03 4 3 1 57 258.341 6
Hi High (pH 8-9.5) 1.37 2.3 -5.84 3 3 0 52 257.333 6

Activity (Go SEA)

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