UCSF

ZINC17167463

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 23 No

Other Names:

MFCD02954773

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) 4.16 9.72 -8.39 0 4 0 47 323.421 3
Ref Reference (pH 7) 4.16 9.06 -8.82 0 4 0 47 323.421 3
Lo Low (pH 4.5-6) 4.16 10.02 -37.19 1 4 1 49 324.429 3
Lo Low (pH 4.5-6) 4.16 9.54 -37.97 1 4 1 49 324.429 3

Activity (Go SEA)

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