UCSF

ZINC44240381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 11 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) 0.42 -1.01 -7.48 2 4 0 59 161.201 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0113831A2; US4413010; US4582526; US4607051 IBM Patent Data

Activity (Go SEA)

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