UCSF

ZINC07997999

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 30 Yes

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) 4.14 10.94 -54.37 2 5 -1 86 410.465 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5356896; US6124340 IBM Patent Data

Activity (Go SEA)

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