UCSF

ZINC24716668

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 29 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) 4.18 9.48 -25.15 2 7 0 94 403.475 8
Hi High (pH 8-9.5) 4.18 10.27 -85.08 1 7 -1 97 402.467 8

Vendor Notes

Note Type Comments Provided By
mp 194.5 - 196.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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