UCSF

ZINC27739554

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 16 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) -0.38 -0.25 -44.74 5 5 1 86 230.332 5
Hi High (pH 8-9.5) -0.38 -0.54 -9.14 4 5 0 84 229.324 5

Activity (Go SEA)

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