UCSF

ZINC22682791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 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) 2.44 10.78 -62.63 2 6 1 60 385.463 7
Hi High (pH 8-9.5) 2.44 8.43 -20.06 1 6 0 59 384.455 7

Activity (Go SEA)

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