UCSF

ZINC20141680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 2.09 5.38 -44.37 2 3 1 29 261.389 5
Lo Low (pH 4.5-6) 2.09 7.73 -115.3 3 3 2 30 262.397 5

Activity (Go SEA)

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