UCSF

ZINC12503440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 No

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) -3.64 -3.91 -138.61 5 13 -2 212 361.207 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3941770; US4639420; US6143443; WO1996035239A1 IBM Patent Data

Activity (Go SEA)

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