UCSF

ZINC21886137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 3.81 13.02 -50.64 1 6 1 54 434.608 4
Lo Low (pH 4.5-6) 3.81 13.36 -84.77 2 6 2 55 435.616 4

Activity (Go SEA)

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