UCSF

ZINC34331475

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.38 8.14 -16.22 0 6 0 70 300.314 5
Lo Low (pH 4.5-6) 1.38 8.59 -49.24 1 6 1 72 301.322 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5583148 IBM Patent Data

Activity (Go SEA)

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