UCSF

ZINC34569635

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 2.12 4.77 -43.07 2 3 1 35 222.308 2
Mid Mid (pH 6-8) 2.12 3.59 -6.58 1 3 0 30 221.3 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5981521 IBM Patent Data

Activity (Go SEA)

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