UCSF

ZINC22936465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 Yes

Other Names:

MFCD09692388

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) 3.46 8.26 -33.35 2 3 1 29 299.438 6
Mid Mid (pH 6-8) 3.46 8.7 -30.99 2 3 1 26 299.438 6
Lo Low (pH 4.5-6) 3.46 10.07 -111.27 3 3 2 30 300.446 6

Activity (Go SEA)

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

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