UCSF

ZINC35636708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 14 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) 3.36 5.63 -3.21 1 1 0 20 210.704 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0272580B1; US3960961 IBM Patent Data

Activity (Go SEA)

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