UCSF

ZINC26895006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 9 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) -1.56 -2.91 -56.93 4 4 0 80 130.147 1
Hi High (pH 8-9.5) -1.56 -2.19 -41.97 3 4 -1 78 129.139 1
Mid Mid (pH 6-8) -1.56 -1.77 -56.67 4 4 0 83 130.147 1
Mid Mid (pH 6-8) -1.56 -1.48 -105.04 5 4 1 84 131.155 1

Activity (Go SEA)

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

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