UCSF

ZINC41391472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 20 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) 4.39 8.1 -7.18 0 3 0 36 270.328 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0954522A1; US4115413; US5651923; WO1997021698A1 IBM Patent Data

Activity (Go SEA)

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