UCSF

ZINC39241536

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 12 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) 0.74 1.23 -4.26 1 2 0 23 163.22 0
Mid Mid (pH 6-8) 0.74 3.63 -36.33 2 2 1 25 164.228 0

Vendor Notes

Note Type Comments Provided By
bp 80 - 82 (p=0.4 torr) MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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