UCSF

ZINC20041562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 21 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) 2.38 4.46 -12.37 3 3 0 55 290.313 6
Lo Low (pH 4.5-6) 2.38 5.88 -52.06 4 3 1 60 291.321 6

Activity (Go SEA)

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