UCSF

ZINC04063198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 14 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) 1.03 2.82 -48.21 0 4 -1 62 193.178 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1021451A1; US5936127; WO1998030569A1 IBM Patent Data

Activity (Go SEA)

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