UCSF

ZINC06667036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 11 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) 0.97 5.43 -30.45 1 3 1 31 158.221 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0253785A1; EP0253785B1; EP0270596A1; US5300660; US5468876 IBM Patent Data

Activity (Go SEA)

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