UCSF

ZINC36043373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 17 No

Other Names:

MFCD02169757

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) -1.18 0.67 -15.55 0 6 0 53 241.291 2

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics
PUBCHEM_PATENT_ID US6114532 IBM Patent Data

Activity (Go SEA)

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