UCSF

ZINC77946759

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2012 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) 2.88 5.55 -51.47 2 6 -1 99 308.354 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0728469A3; US5714497; US5767158 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.