UCSF

ZINC50889822

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 17 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) 1.53 5.78 -39.45 4 4 1 59 231.323 2
Lo Low (pH 4.5-6) 1.53 6.27 -86.18 5 4 2 60 232.331 2

Activity (Go SEA)

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