UCSF

ZINC05158128

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 Yes

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) 3.51 0.29 -3.3 1 1 0 20 168.28 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0258967A2; EP0258967B2; US4962242 IBM Patent Data

Activity (Go SEA)

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