UCSF

ZINC34361337

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 22 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) 3.51 4.36 -8.61 3 5 0 79 301.342 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0782992A1; US5907039 IBM Patent Data

Activity (Go SEA)

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