UCSF

ZINC19919236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 15 Yes

Other Names:

MFCD07410319

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) 0.99 6.12 -120.65 3 3 2 34 209.337 7
Hi High (pH 8-9.5) 0.99 2.67 -3.54 1 3 0 28 207.321 7
Mid Mid (pH 6-8) 0.99 4.61 -37.41 2 3 1 29 208.329 7
Mid Mid (pH 6-8) 0.99 4.04 -44.94 2 3 1 33 208.329 7
Lo Low (pH 4.5-6) 0.99 5.05 -79.93 3 3 2 31 209.337 7

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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