UCSF

ZINC37037854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.58 2.86 -97.41 4 4 2 48 236.363 5
Hi High (pH 8-9.5) -0.58 0.22 -4.47 2 4 0 45 234.347 5
Mid Mid (pH 6-8) -0.58 2.86 -110.22 4 4 2 48 236.363 5
Mid Mid (pH 6-8) -0.58 0.59 -45.69 3 4 1 47 235.355 5

Activity (Go SEA)

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