UCSF

ZINC31870279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 9 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) 0.00 -1.1 -10.05 2 3 0 49 131.175 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4554377; US4786731 IBM Patent Data

Activity (Go SEA)

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