UCSF

ZINC37080971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.32 3.05 -40.94 3 3 1 40 219.308 2
Hi High (pH 8-9.5) -0.32 2.76 -3.57 2 3 0 38 218.3 2
Mid Mid (pH 6-8) -0.32 4.69 -34.7 3 3 1 40 219.308 2
Mid Mid (pH 6-8) -0.32 5.01 -122.96 4 3 2 41 220.316 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.