UCSF

ZINC34867659

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 12 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) 1.37 1.84 -7.05 1 2 0 33 164.204 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0422897A2; EP0422897B1; EP0454463B1; US4935101; US5278070 IBM Patent Data

Activity (Go SEA)

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