UCSF

ZINC34833369

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 4.11 10.22 -8.9 1 6 0 72 403.461 5
Lo Low (pH 4.5-6) 4.11 10.67 -41.37 2 6 1 73 404.469 5

Activity (Go SEA)

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