UCSF

ZINC02018980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 17 Yes

CAS Numbers: 1215-83-4 , 14860-49-2

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) 3.37 2.26 -35.68 2 2 1 24 256.797 5

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.507 Bitter DB

Activity (Go SEA)

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