UCSF

ZINC37828722

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.25 8.75 -47.74 0 4 -1 60 292.38 4
Lo Low (pH 4.5-6) 2.25 6.68 -9.72 1 4 0 58 293.388 4

Activity (Go SEA)

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