UCSF

ZINC78061548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2012 8 No

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) -3.07 4.97 -30.33 0 2 1 9 138.618 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0000940A2; EP0010287A1; EP0019762A1; EP0020337A1; EP0024489A1; EP0026872A1; EP0040350A1; EP0043923A2; EP0044224A1; EP0044407A2; EP0050504A1; EP0056087A1; EP0095677A2; EP0149083A2; EP0293488A1; EP0293488B1; EP0388109A1; EP0388109B1; EP0403574B1; EP060978 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.