UCSF

ZINC12583139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 20 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) 4.54 3.59 -9.35 2 4 0 65 264.284 2
Hi High (pH 8-9.5) 4.54 4.37 -41.98 1 4 -1 68 263.276 2
Hi High (pH 8-9.5) 4.54 5.13 -90.62 0 4 -2 71 262.268 2

Activity (Go SEA)

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