UCSF

ZINC06495282

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 26 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) 2.40 5.82 -12.28 2 4 0 75 358.478 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4041055; US4221725; US4230621; US4345096 IBM Patent Data

Activity (Go SEA)

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