UCSF

ZINC00040161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Other Names:

MFCD00554278

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) 2.12 3 -10.65 1 4 0 59 226.301 3
Hi High (pH 8-9.5) 2.12 3.25 -49.44 0 4 -1 61 225.293 3

Vendor Notes

Note Type Comments Provided By
mp 92 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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