UCSF

ZINC04556813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 17 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) -1.49 -3.14 -64.27 4 5 0 96 262.375 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0190652A1; EP0272609A2; EP0272609B1; EP0286171A1; EP0286171B1; EP0360258A2; EP0360258B1; EP0475160B1; EP0787726A1; EP0972031A1; US4350627; US4849349; US4888284; US5057520; US5057523; US5221738; US5244806; US5817669; US6080542; US6165500; WO1989000167A1 IBM Patent Data

Activity (Go SEA)

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