UCSF

ZINC34598977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) 0.41 0.99 -7.26 0 3 0 31 142.154 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4359476; US4460600 IBM Patent Data

Activity (Go SEA)

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