UCSF

ZINC20217842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 0.31 4.86 -106.32 4 4 2 52 229.368 3
Hi High (pH 8-9.5) 0.31 2.06 -8.27 2 4 0 50 227.352 3
Hi High (pH 8-9.5) 0.31 4.57 -44.25 3 4 1 51 228.36 3
Hi High (pH 8-9.5) 0.31 2.35 -41.71 3 4 1 51 228.36 3

Activity (Go SEA)

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