UCSF

ZINC00607970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 36 Yes

CAS Number: 116644-53-2

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) 5.56 2.47 -48.57 2 6 1 68 496.647 12

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.064 Bitter DB

Activity (Go SEA)

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