UCSF

ZINC22028678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 No

Other Names:

MFCD00173925

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) -2.12 -0.98 -45.07 4 5 1 63 173.24 1
Hi High (pH 8-9.5) -2.12 -3.36 -10.41 3 5 0 62 172.232 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.