UCSF

ZINC43708904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 0.45 4.71 -96.81 4 6 2 69 295.383 6
Hi High (pH 8-9.5) 0.45 2.24 -54.51 3 6 1 67 294.375 6
Hi High (pH 8-9.5) 0.45 0.85 -12.04 2 6 0 63 293.367 6
Hi High (pH 8-9.5) 0.45 3.36 -45.22 3 6 1 64 294.375 6

Activity (Go SEA)

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