UCSF

ZINC14806132

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 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) 3.02 0.44 -8.89 3 4 0 70 258.273 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1027345A1; WO1998007836A1; WO1999019319A1; WO2000078142A2; WO2000078143A1; WO2000078144A1; WO2000078979A1; WO2000078980A1; WO2000078981A1 IBM Patent Data

Activity (Go SEA)

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