UCSF

ZINC12630034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 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) 5.10 7.07 -9.11 1 4 0 55 324.405 2
Hi High (pH 8-9.5) 5.10 7.85 -41.65 0 4 -1 57 323.397 2
Hi High (pH 8-9.5) 5.10 8.27 -42.67 0 4 -1 57 323.397 2

Activity (Go SEA)

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