UCSF

ZINC37334309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.11 8.01 -41.94 1 2 1 22 226.246 4
Hi High (pH 8-9.5) 2.11 5.6 -10.11 0 2 0 20 225.238 4

Activity (Go SEA)

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