UCSF

ZINC04892428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 23 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) 4.72 8.02 -50.54 1 5 -1 85 363.827 3
Hi High (pH 8-9.5) 5.18 6.63 -103.23 0 5 -2 88 362.819 3
Hi High (pH 8-9.5) 5.18 5.96 -102.19 0 5 -2 88 362.819 3
Lo Low (pH 4.5-6) 4.23 8.32 -50.96 1 5 -1 82 363.827 4

Activity (Go SEA)

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