UCSF

ZINC01593405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) 1.73 6.72 -41.05 1 3 1 23 222.308 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0100200A1; US4656174; US4686228; US4758568 IBM Patent Data

Activity (Go SEA)

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