UCSF

ZINC34345049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 23 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) 2.30 6.08 -10.32 1 5 0 75 330.771 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0370902B1; US5043352 IBM Patent Data

Activity (Go SEA)

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