UCSF

ZINC05018971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 13 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) 1.20 -0.51 -47.58 1 3 -1 60 179.195 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005779A2; US4218380 IBM Patent Data

Activity (Go SEA)

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