UCSF

ZINC22794594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) -0.07 4.27 -39.89 2 7 1 66 339.46 7
Hi High (pH 8-9.5) -0.07 1.88 -17.57 1 7 0 65 338.452 7

Activity (Go SEA)

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