UCSF

ZINC22464781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 29 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) 4.74 11.05 -44.79 2 4 1 37 403.937 4
Hi High (pH 8-9.5) 4.74 9.63 -8.49 1 4 0 33 402.929 4
Lo Low (pH 4.5-6) 4.74 11.46 -87.24 3 4 2 38 404.945 4

Activity (Go SEA)

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