UCSF

ZINC17136171

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 24 No

Other Names:

MFCD01417526

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) 4.68 7.1 -10.71 1 5 0 64 340.404 4
Ref Reference (pH 7) 4.68 6.68 -10.51 1 5 0 64 340.404 4
Ref Reference (pH 7) 4.19 6.56 -45.02 0 5 -1 63 339.396 5

Activity (Go SEA)

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