UCSF

ZINC13546531

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 4.59 5.53 -9.87 2 5 0 75 340.404 4
Hi High (pH 8-9.5) 5.05 3.09 -48.3 1 5 -1 78 339.396 4
Hi High (pH 8-9.5) 5.05 3.76 -47.99 1 5 -1 78 339.396 4
Mid Mid (pH 6-8) 4.10 5 -47.32 1 5 -1 74 339.396 5

Activity (Go SEA)

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