UCSF

ZINC05600635

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 11 Yes

CAS Number: 2490-91-7

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) -2.16 -10.03 -9.13 4 5 0 90 164.157 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4883903 IBM Patent Data

Activity (Go SEA)

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