UCSF

ZINC13583573

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 36 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) 4.50 7.12 -28.94 4 10 0 149 488.548 11
Hi High (pH 8-9.5) 4.96 5.49 -56.64 3 10 -1 152 487.54 11
Hi High (pH 8-9.5) 4.96 5.1 -74.33 3 10 -1 152 487.54 11
Hi High (pH 8-9.5) 4.96 5.22 -69.1 3 10 -1 152 487.54 11
Hi High (pH 8-9.5) 4.96 5.37 -62.27 3 10 -1 152 487.54 11

Activity (Go SEA)

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