UCSF

ZINC36458549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 10 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) 2.25 5.35 -3.71 1 1 0 16 135.21 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0521827A1; EP0521827B1; US5753652; US5817679; US6060473; US6117889 IBM Patent Data

Activity (Go SEA)

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