UCSF

ZINC22784168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 1.74 5.36 -7.77 1 5 0 52 330.476 8
Lo Low (pH 4.5-6) 1.74 7.65 -34.74 2 5 1 53 331.484 8

Activity (Go SEA)

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