UCSF

ZINC13569006

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 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) 3.67 10.31 -6.57 0 2 0 16 342.364 6
Lo Low (pH 4.5-6) 3.67 12.16 -98.45 2 2 2 19 344.38 6

Activity (Go SEA)

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