UCSF

ZINC39334297

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 21 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) 3.75 9.18 -36.5 2 2 1 25 282.407 3
Hi High (pH 8-9.5) 3.75 6.91 -4.21 1 2 0 23 281.399 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4387230 IBM Patent Data

Activity (Go SEA)

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