UCSF

ZINC22006575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Other Names:

MFCD07368334

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) 2.86 7.41 -28.85 2 3 1 39 231.319 5
Mid Mid (pH 6-8) 2.86 7.45 -28.42 2 3 1 39 231.319 5
Mid Mid (pH 6-8) 2.86 7 -6.46 1 3 0 38 230.311 5

Activity (Go SEA)

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

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