UCSF

ZINC21619744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 35 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) 4.60 11.58 -21.11 3 6 0 77 466.585 8
Lo Low (pH 4.5-6) 4.60 12.36 -33.27 4 6 0 78 467.593 8

Activity (Go SEA)

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