UCSF

ZINC14686820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 28 No

CAS Number: 76-66-4

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) 2.83 9.82 -49.56 2 6 1 69 385.484 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0061487A1; EP1019044A1; US4844901; US4940725; US5302611; US5723625; WO1998051302A1; WO2000030666A1; WO2000033659A1 IBM Patent Data

Activity (Go SEA)

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