UCSF

ZINC15435861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 2.91 6.19 -9.75 1 5 0 64 294.31 5
Lo Low (pH 4.5-6) 2.91 6.48 -38.58 2 5 1 66 295.318 5

Activity (Go SEA)

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