UCSF

ZINC00721961

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 No

Other Names:

MFCD00839948

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) 5.48 9.54 -8.92 0 5 0 52 388.467 7
Ref Reference (pH 7) 5.48 8.36 -8.43 0 5 0 52 388.467 7
Ref Reference (pH 7) 5.48 11.05 -11.65 0 5 0 52 388.467 7
Lo Low (pH 4.5-6) 5.48 8.78 -38.09 1 5 1 54 389.475 7
Lo Low (pH 4.5-6) 5.48 9.96 -35.61 1 5 1 54 389.475 7
Lo Low (pH 4.5-6) 5.48 9.78 -36.29 1 5 1 54 389.475 7
Lo Low (pH 4.5-6) 5.48 11.35 -34.14 1 5 1 54 389.475 7

Activity (Go SEA)

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