UCSF

ZINC05768018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 15 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) 3.41 3.41 -4.53 0 1 0 17 206.329 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0980237A1; EP0980238A1; US5874073; US5919440; WO1998050010A1; WO1998050011A1 IBM Patent Data

Activity (Go SEA)

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