UCSF

ZINC13821221

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 18 Yes

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) 1.56 4.89 -40.82 1 4 -1 73 256.159 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0303387A1; EP0303387B1; US5270309 IBM Patent Data

Activity (Go SEA)

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