UCSF

ZINC01352784

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 3.37 7.16 -14.31 2 5 0 71 317.776 5
Lo Low (pH 4.5-6) 3.37 6.99 -31.75 3 5 1 72 318.784 5

Activity (Go SEA)

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