UCSF

ZINC08034905

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 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) 5.40 -5.06 -41.29 5 3 1 68 302.523 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998027958A1 IBM Patent Data

Activity (Go SEA)

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