UCSF

ZINC04421737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 28 No

Other Names:

MFCD00487850

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) 3.79 9.71 -14.08 4 4 0 86 368.436 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4670535; US4861854; US6025461 IBM Patent Data

Activity (Go SEA)

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