UCSF

ZINC50054097

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 1.60 6.12 -41.41 2 5 1 60 259.37 9
Hi High (pH 8-9.5) 1.60 4.07 -10.43 1 5 0 59 258.362 9

Activity (Go SEA)

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