UCSF

ZINC37033883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 5.75 7.93 -37.34 3 2 1 37 296.862 4
Hi High (pH 8-9.5) 5.75 8.69 -24.91 2 2 0 40 295.854 4

Activity (Go SEA)

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