UCSF

ZINC59560083

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 29 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) 7.10 17.32 -35.98 1 3 1 31 406.675 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0095626A2; US4537698 IBM Patent Data

Activity (Go SEA)

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