UCSF

ZINC62772398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 14 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) 2.23 6.86 -37.98 2 1 1 17 194.273 1
Hi High (pH 8-9.5) 2.23 5.86 -2.86 1 1 0 12 193.265 1

Activity (Go SEA)

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