UCSF

ZINC38241623

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 19 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) -0.81 -2.33 -12.33 4 8 0 119 265.273 2
Lo Low (pH 4.5-6) -0.81 -1.91 -34.29 5 8 1 121 266.281 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0974672A1; EP1042348A1; WO1999031119A1 IBM Patent Data

Activity (Go SEA)

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