UCSF

ZINC39752617

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 24 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) 1.85 8.59 -45.32 2 4 1 46 328.411 5
Lo Low (pH 4.5-6) 1.85 9.05 -90.91 3 4 2 48 329.419 5

Activity (Go SEA)

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