UCSF

ZINC34368488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 32 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) 2.24 5.76 -12.32 6 9 0 142 428.5 4
Mid Mid (pH 6-8) 2.24 6.27 -27.39 7 9 1 143 429.508 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4874763 IBM Patent Data

Activity (Go SEA)

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