UCSF

ZINC21324898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 24 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) 1.80 4.77 -44.54 4 8 1 101 341.432 10
Hi High (pH 8-9.5) 1.80 2.69 -15.53 3 8 0 100 340.424 10

Activity (Go SEA)

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