UCSF

ZINC43214170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 19 Yes

Other Names:

MFCD09801755

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) 3.43 9.87 -52.83 0 4 -1 66 283.731 8
Lo Low (pH 4.5-6) 3.43 7.89 -13.93 1 4 0 64 284.739 8

Activity (Go SEA)

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