UCSF

ZINC34385872

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) 3.51 10.08 -9.93 0 3 0 36 310.393 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5185463; US5218142; US5233086; US5237095; US5237096; US5412134; US5525726 IBM Patent Data
PUBCHEM_PATENT_ID US5516903 IBM Patent Data

Activity (Go SEA)

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