UCSF

ZINC02559341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

CAS Number: 56581-76-1

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) 2.54 2.02 -14.91 2 5 0 80 284.267 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0372471A1; US3950589; US4600545; WO2000014075A1; WO2000014076A1 IBM Patent Data

Activity (Go SEA)

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