UCSF

ZINC38338056

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 12 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) 0.92 3.02 -11.27 1 3 0 47 166.176 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0202046A1; EP0203722A1; EP0310214A2; US4716232; US4795815; US4826992; US4902707; US4940718; US5011938 IBM Patent Data

Activity (Go SEA)

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