UCSF

ZINC43391269

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.06 7.31 -38.33 2 2 1 16 283.798 3
Hi High (pH 8-9.5) 3.06 8.37 -40.09 2 2 1 20 283.798 3
Mid Mid (pH 6-8) 3.06 8.58 -111.31 3 2 2 21 284.806 3

Activity (Go SEA)

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