UCSF

ZINC05225175

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 11 Yes

CAS Number: 19780-78-0

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) 3.69 -0.02 -1.65 1 1 0 20 158.285 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0089752A2; US4524373 IBM Patent Data

Activity (Go SEA)

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

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