UCSF

ZINC22046568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 No

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) -1.20 -5.66 -27.19 5 10 0 150 353.331 5
Hi High (pH 8-9.5) -1.57 -7.61 -62.57 4 10 -1 156 352.323 5
Hi High (pH 8-9.5) -1.57 -7.7 -76.48 4 10 -1 156 352.323 5

Activity (Go SEA)

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