UCSF

ZINC21368512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 23 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) 2.54 6.37 -53.61 2 5 1 49 314.388 2
Hi High (pH 8-9.5) 2.54 4.94 -7.34 1 5 0 44 313.38 2

Activity (Go SEA)

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