UCSF

ZINC21789936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.64 4.98 -12.16 0 6 0 72 352.419 4
Lo Low (pH 4.5-6) 2.64 5.44 -49.05 1 6 1 73 353.427 4

Activity (Go SEA)

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