UCSF

ZINC03881629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 26 No

Other Names:

MFCD00198397

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) 4.18 4.65 -13.19 0 3 0 43 354.49 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4397947; US5683711; US5830505 IBM Patent Data

Activity (Go SEA)

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