UCSF

ZINC40751626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) -1.45 -5.74 -41.52 2 7 -1 110 226.212 5
Lo Low (pH 4.5-6) -1.90 -3.89 -10.43 3 7 0 107 227.22 5

Activity (Go SEA)

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