UCSF

ZINC39385735

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 18 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) 3.91 7.84 -9.53 0 3 0 28 244.29 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0033614A1; US4367238 IBM Patent Data

Activity (Go SEA)

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