UCSF

ZINC39647918

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 17 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) 3.84 7.47 -4.24 0 3 0 22 237.343 7
Lo Low (pH 4.5-6) 3.84 7.2 -26.3 1 3 1 23 238.351 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4760183 IBM Patent Data

Activity (Go SEA)

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