UCSF

ZINC77988926

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 11 Yes

CAS Number: 56341-41-4

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) 2.26 3.52 -5.74 1 2 0 25 151.14 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0208510A2; EP0208510B1; US4678802; US4725616; US4791129; WO1997042187A1; WO1999048868A2; WO1999061422A1; WO2000008202A2; WO2000056709A1 IBM Patent Data

Activity (Go SEA)

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

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