UCSF

ZINC22684695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 25 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) 3.98 11.56 -45.37 2 3 1 34 355.527 6
Hi High (pH 8-9.5) 3.98 9.46 -10.22 1 3 0 32 354.519 6

Activity (Go SEA)

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