UCSF

ZINC13547847

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 Yes

CAS Number: 2140-61-6

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) -1.23 -7.49 -24.7 5 8 0 131 257.246 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0497875A1; EP0497875B1; EP0510085A1; EP0510085B1; EP0552516A1; EP0552516B1; EP0586570A1; EP0586570B1; EP0620864B1; EP0737201A1; EP0914324A2; EP0942000A2; EP0977767A1; EP0983290A1; EP1004593A2; EP1004593A3; EP1015643A2; US4767704; US5084445; US5407801; U IBM Patent Data

Activity (Go SEA)

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