UCSF

ZINC04201349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 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) -0.21 4.17 -45.61 1 4 -1 69 206.221 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0018001A2; US4353824; US4448880 IBM Patent Data

Activity (Go SEA)

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