UCSF

ZINC35973738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 30 Yes

Other Names:

MFCD09868643

MFCD11502049

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) 0.84 10.13 -50.58 0 10 -1 145 425.41 11
Lo Low (pH 4.5-6) 2.13 9.01 -12.55 1 10 0 143 426.418 12
Lo Low (pH 4.5-6) 1.55 10.68 -13.38 0 10 0 139 426.418 12

Activity (Go SEA)

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

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