UCSF

ZINC13407807

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 22 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) 1.48 2.12 -42.61 2 8 -1 127 341.394 5
Hi High (pH 8-9.5) 1.93 1.98 -116.56 1 8 -2 130 340.386 5
Lo Low (pH 4.5-6) 1.48 1.11 -15.45 3 8 0 125 342.402 5

Vendor Notes

Note Type Comments Provided By
mp 179 - 180 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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