UCSF

ZINC01545439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 No

CAS Number: [2869-34-3]

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) 5.10 8.1 -39.67 3 1 1 28 200.39 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5958903 IBM Patent Data

Activity (Go SEA)

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