UCSF

ZINC44725413

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) -0.94 0.47 -102.65 5 5 2 78 249.38 6
Hi High (pH 8-9.5) -0.94 -1.91 -55.21 4 5 1 77 248.372 6

Activity (Go SEA)

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