UCSF

ZINC01654135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 7 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) 1.97 -0.99 -37.26 3 1 1 27 102.201 2

Vendor Notes

Note Type Comments Provided By
MP 204 - 206 Enamine Building Blocks
MP 204...206 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP1047693A1; WO1999031091A1; WO1999055702A1 IBM Patent Data

Activity (Go SEA)

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