UCSF

ZINC40448175

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 17 Yes

Other Names:

MFCD09991825

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) 0.52 -3.27 -45.07 0 7 -1 101 249.231 2
Lo Low (pH 4.5-6) 0.06 -1.1 -8.97 1 7 0 98 250.239 2

Activity (Go SEA)

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

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