UCSF

ZINC04339260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 21 Yes

CAS Number: 491-88-3

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) -0.30 -0.01 -14.57 1 5 0 64 286.331 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996016667A1 IBM Patent Data

Activity (Go SEA)

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