UCSF

ZINC22061127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 2.56 3.01 -43.96 4 4 1 66 276.356 7
Hi High (pH 8-9.5) 2.56 1.51 -10.2 3 4 0 62 275.348 7

Activity (Go SEA)

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