UCSF

ZINC34448977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 2.92 4.38 -2.42 1 1 0 20 168.28 2

Vendor Notes

Note Type Comments Provided By
bp 96 - 100 (p=12 torr) MolMall (formerly Molecular Diversity Preservation International)
bp 98 - 100 (p=12 torr) MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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