UCSF

ZINC43253890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 Yes

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) 1.47 1.91 -117.54 5 3 2 52 264.822 6
Hi High (pH 8-9.5) 1.47 1.55 -28.4 4 3 1 51 263.814 6
Hi High (pH 8-9.5) 1.47 0.08 -2.5 3 3 0 49 262.806 6
Mid Mid (pH 6-8) 1.47 0.48 -41.54 4 3 1 51 263.814 6

Activity (Go SEA)

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