UCSF

ZINC02584505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 No

Other Names:

MFCD00043666

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) 4.89 12.02 -9.84 0 3 0 39 295.382 7
Lo Low (pH 4.5-6) 4.89 11.7 -39.25 1 3 1 40 296.39 7
Lo Low (pH 4.5-6) 4.89 12.38 -36.74 1 3 1 40 296.39 7

Activity (Go SEA)

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