UCSF

ZINC22786195

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 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) 2.68 8.94 -35.52 2 5 1 46 368.501 6
Hi High (pH 8-9.5) 2.68 6.72 -11.66 1 5 0 45 367.493 6

Activity (Go SEA)

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