UCSF

ZINC20198547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 0.65 1.56 -38.36 3 4 1 46 231.36 8
Lo Low (pH 4.5-6) 0.65 2.92 -103.02 4 4 2 51 232.368 8
Lo Low (pH 4.5-6) 0.65 0.56 -38.56 3 4 1 49 231.36 8

Activity (Go SEA)

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