UCSF

ZINC02572454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 29 Yes

CAS Number: 108895-98-3

Other Names:

MFCD01074700

SS-1133

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) 3.04 7 -13.87 2 6 0 80 385.423 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0284256A1; US4820834; US5004741; US5218114; US5218115; US5580979 IBM Patent Data

Activity (Go SEA)

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