UCSF

ZINC05820550

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 23 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) 6.97 11.78 -46.93 1 3 -1 60 325.513 17

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1009220A1; US5668292; US5801026; US6028248; US6160141; WO1996010075A1; WO1997030582A1; WO1999053073A2 IBM Patent Data

Activity (Go SEA)

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