UCSF

ZINC42410609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 0.74 4.34 -48.06 2 5 1 65 249.29 5
Hi High (pH 8-9.5) 0.74 2.99 -8.64 1 5 0 60 248.282 5

Activity (Go SEA)

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