UCSF

ZINC04277081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 37 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) 4.21 0.19 -20.58 1 7 0 92 512.587 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0359536A2; US4269977; US4458069; US5064649 IBM Patent Data

Activity (Go SEA)

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