UCSF

ZINC21639858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 4.44 10.89 -7.92 1 4 0 41 350.853 4
Lo Low (pH 4.5-6) 4.44 13.3 -50.4 2 4 1 42 351.861 4

Activity (Go SEA)

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