UCSF

ZINC16602836

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 37 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) 4.03 12.93 -15.52 1 7 0 89 501.558 9
Lo Low (pH 4.5-6) 4.03 13.2 -42.73 2 7 1 90 502.566 9

Activity (Go SEA)

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