UCSF

ZINC42461479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.92 2.46 -43.36 3 3 1 40 229.388 5
Lo Low (pH 4.5-6) 1.92 3.42 -112.15 4 3 2 41 230.396 5

Activity (Go SEA)

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