UCSF

ZINC08700337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 20 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) 4.72 -0.88 -47.2 3 4 1 54 279.404 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5637613 IBM Patent Data

Activity (Go SEA)

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