UCSF

ZINC00000417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

CAS Number: 539-08-2

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) 1.28 2.18 -13.94 2 4 0 59 209.245 4

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.364 Bitter DB

Activity (Go SEA)

Rings

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