UCSF

ZINC01689815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

CAS Number: 6247-00-3

Other Names:

MFCD00026081

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) 3.33 2.61 -2.31 0 1 0 3 173.259 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0269573A2; EP0269573B1; US4960746 IBM Patent Data

Activity (Go SEA)

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