UCSF

ZINC34468652

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 35 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) 0.94 2.14 -66.82 7 10 1 159 479.561 11
Hi High (pH 8-9.5) 0.94 0.79 -24.67 6 10 0 155 478.553 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5135932 IBM Patent Data

Activity (Go SEA)

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