UCSF

ZINC04857775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 15 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) 1.26 0.16 -42.19 1 4 1 28 214.333 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0487408A1; EP0487408B1 IBM Patent Data

Activity (Go SEA)

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