UCSF

ZINC21303992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 11 Yes

CAS Number: 4765-24-6

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) 3.05 5.93 -6.13 1 1 0 16 145.205 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0993458A1; WO1998057953A1; WO1999003855A1 IBM Patent Data

Activity (Go SEA)

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