UCSF

ZINC08214947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 29 No

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) 3.33 -4.59 -52.59 3 5 -1 100 407.571 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0580550B1; EP1036564A1; US5569674; US5654468 IBM Patent Data

Activity (Go SEA)

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