UCSF

ZINC39853906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 22 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) 3.32 7.55 -13.99 1 5 0 64 296.326 3
Hi High (pH 8-9.5) 3.32 8.68 -66.93 0 5 -1 67 295.318 3
Hi High (pH 8-9.5) 3.32 8.1 -61.02 0 5 -1 67 295.318 3

Activity (Go SEA)

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