UCSF

ZINC01871861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 21 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) 3.19 2.58 -11.82 0 4 0 36 288.343 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4275906; US4773966; US5622953; WO1994022842A1 IBM Patent Data

Activity (Go SEA)

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