UCSF

ZINC37875867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 3.07 4.51 -40.28 3 3 1 37 298.621 5
Hi High (pH 8-9.5) 3.07 2 -3.92 2 3 0 35 297.613 5

Activity (Go SEA)

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