UCSF

ZINC19359198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 Yes

Other Names:

MFCD03446151

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) 0.69 5.66 -35.29 1 4 1 33 269.372 4
Mid Mid (pH 6-8) 0.69 3.35 -7.36 0 4 0 32 268.364 4
Mid Mid (pH 6-8) 0.69 4.58 -32.99 1 4 1 34 269.372 4
Lo Low (pH 4.5-6) 0.69 6.05 -84.84 2 4 2 35 270.38 4
Lo Low (pH 4.5-6) 0.69 4.62 -71.41 2 4 2 35 270.38 4

Activity (Go SEA)

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