UCSF

ZINC48229845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 22 Yes

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) 2.40 7.47 -48.78 1 6 -1 95 295.274 4
Hi High (pH 8-9.5) 2.86 5.66 -99.45 0 6 -2 98 294.266 4

Activity (Go SEA)

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