UCSF

ZINC19897570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 Yes

Other Names:

MFCD09758109

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) 2.36 6.39 -35.54 1 5 1 47 300.382 4
Mid Mid (pH 6-8) 2.36 8.45 -44.76 1 5 1 47 300.382 4
Mid Mid (pH 6-8) 2.36 8.85 -86.34 2 5 2 48 301.39 4
Mid Mid (pH 6-8) 2.36 5.98 -7.5 0 5 0 46 299.374 4

Activity (Go SEA)

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