UCSF

ZINC63884791

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2011 25 Yes

Other Names:

MFCD01107315

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) 1.09 5.89 -51.37 3 5 1 54 343.495 3
Mid Mid (pH 6-8) 1.09 8.1 -118.7 4 5 2 56 344.503 3
Mid Mid (pH 6-8) 1.09 7.78 -44.39 3 5 1 54 343.495 3

Activity (Go SEA)

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

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