UCSF

ZINC34225098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 1.88 7.56 -16.17 2 7 0 88 373.453 6
Mid Mid (pH 6-8) 1.88 8.07 -44.61 3 7 1 92 374.461 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4600534 IBM Patent Data

Activity (Go SEA)

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