UCSF

ZINC13375249

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 9 No

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) -1.57 -1.11 -41.33 3 5 0 94 131.087 2
Mid Mid (pH 6-8) -1.57 -2.75 -42.27 2 5 -1 99 130.079 2
Mid Mid (pH 6-8) -1.57 -0.6 -112.47 1 5 -2 102 129.071 2

Activity (Go SEA)

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

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