UCSF

ZINC39279499

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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 6.88 -47.26 0 2 -1 40 169.244 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0483851A1; EP0483851B1; US5128350; US5932642 IBM Patent Data

Activity (Go SEA)

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