UCSF

ZINC03649831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 25 Yes

CAS Number: 39731-05-0

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) 3.31 5.74 -43.88 4 6 1 88 349.451 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4189494 IBM Patent Data

Activity (Go SEA)

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