UCSF

ZINC02564498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 Yes

CAS Numbers: 26699-00-3 , 3160-59-6

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) 2.74 0.41 -53.4 1 5 -1 78 264.301 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0505089A1; EP0505089B1; US5288682 IBM Patent Data

Activity (Go SEA)

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