UCSF

ZINC27222125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 20 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) 4.42 7.2 -4.32 1 3 0 34 403.114 6
Lo Low (pH 4.5-6) 4.42 8.55 -37.78 2 3 1 39 404.122 6

Activity (Go SEA)

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