UCSF

ZINC33839342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 18 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) 4.06 9.74 -9.28 0 4 0 53 256.342 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4052423 IBM Patent Data

Activity (Go SEA)

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