UCSF

ZINC13194591

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 22 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) 5.16 9.6 -12.62 0 2 0 26 280.33 0
Lo Low (pH 4.5-6) 5.16 9.87 -37.75 1 2 1 27 281.338 0

Activity (Go SEA)

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