UCSF

ZINC14694366

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 26 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) 2.08 -0.03 -14.97 4 6 0 99 362.422 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0906761A2; US5837256; WO1998020113A1; WO1999007239A1; WO1999055846A1; WO2000005350A1; WO2000059946A1 IBM Patent Data

Activity (Go SEA)

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