UCSF

ZINC34547914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) -0.20 1.95 -9.69 1 4 0 55 126.115 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4000301 IBM Patent Data

Activity (Go SEA)

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