UCSF

ZINC32150481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 9 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) 1.77 4.8 -3.96 0 1 0 13 121.183 1
Lo Low (pH 4.5-6) 1.77 5.16 -26.5 1 1 1 14 122.191 1

Activity (Go SEA)

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