UCSF

ZINC00398167

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 Yes

CAS Number: 621-14-7

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) 2.79 4.3 -9.35 0 4 0 52 270.284 7

Vendor Notes

Note Type Comments Provided By
mp 87 - 88 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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