UCSF

ZINC38182818

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2010 35 No

CAS Number: 64544-07-6

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) 0.06 4.41 -28.71 3 14 0 189 510.481 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4717768; US4876351 IBM Patent Data

Activity (Go SEA)

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

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