UCSF

ZINC01850149

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 27 Yes

CAS Number: 143343-92-4

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) 3.28 11.45 -32 2 4 1 45 367.513 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1994006426A1 IBM Patent Data

Activity (Go SEA)

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