UCSF

ZINC42459982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 1.20 4.8 -35.49 1 3 1 27 235.76 6
Hi High (pH 8-9.5) 1.20 2.37 -5.9 0 3 0 25 234.752 6

Activity (Go SEA)

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