UCSF

ZINC34420299

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 27 No

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) 4.96 7.29 -15.1 3 5 0 87 372.461 10
Hi High (pH 8-9.5) 4.96 8.36 -58.72 2 5 -1 90 371.453 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5025036; US5191108 IBM Patent Data

Activity (Go SEA)

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