UCSF

ZINC21876005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 0.46 5.21 -19.95 2 9 0 109 432.484 6
Lo Low (pH 4.5-6) 0.46 5.65 -50.38 3 9 1 110 433.492 6

Activity (Go SEA)

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