UCSF

ZINC40712264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 13 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) 2.38 5.99 -6.63 0 2 0 16 180.226 1
Lo Low (pH 4.5-6) 2.38 6.62 -23.99 1 2 1 17 181.234 1

Activity (Go SEA)

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