UCSF

ZINC34464782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 No

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) 1.59 3.22 -10.42 0 3 0 39 165.123 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0055630A2; EP0128453A2; EP0245989A2; EP0245989B1; EP0730452A1; US3992407; US4221914; US4374266; US4374267; US4680412; US4839378; US5602228; US5858907; WO1995011680A1 IBM Patent Data

Activity (Go SEA)

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