UCSF

ZINC36075579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 16 Yes

Other Names:

MFCD12674984

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) 1.37 7.09 -61.88 1 4 -1 73 281.085 1
Lo Low (pH 4.5-6) 2.67 5.23 -35.23 2 4 0 74 282.093 1
Lo Low (pH 4.5-6) 2.67 5.89 -122.78 0 4 -2 76 280.077 1

Activity (Go SEA)

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