UCSF

ZINC37337423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 4.06 9.35 -41.79 1 3 1 31 341.269 6
Hi High (pH 8-9.5) 4.06 7.33 -8.85 0 3 0 30 340.261 6

Activity (Go SEA)

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