UCSF

ZINC38796484

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 29 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) 5.35 12.52 -41.34 2 4 1 51 396.551 8
Hi High (pH 8-9.5) 5.35 10.78 -7.27 1 4 0 50 395.543 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5250542 IBM Patent Data

Activity (Go SEA)

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