UCSF

ZINC12958255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 2.32 4.36 -12.53 3 8 0 103 385.848 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1000029A1; US5395832; US5500422; WO1999002496A1 IBM Patent Data

Activity (Go SEA)

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