UCSF

ZINC34526024

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 0.08 8.09 -62.21 0 5 -1 71 312.223 3
Lo Low (pH 4.5-6) 0.08 6.1 -13.73 1 5 0 69 313.231 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5545642; US5605910; US5679689; US5703094; US5753669; US5783708; US5986105; US5990122; WO1996001262A1 IBM Patent Data

Activity (Go SEA)

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