UCSF

ZINC00008866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 2.51 1.47 -6.21 3 3 0 61 288.387 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3962416 IBM Patent Data
PUBCHEM_PATENT_ID US6068830; WO1995002424A1 IBM Patent Data

Activity (Go SEA)

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