UCSF

ZINC00258317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 19 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) 1.82 5.08 -53.94 0 5 -1 78 286.304 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3992441; US4124590; US4138399; US4377521 IBM Patent Data

Activity (Go SEA)

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