UCSF

ZINC68893608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 12 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) 0.98 5.2 -116.39 4 2 2 32 170.3 3
Mid Mid (pH 6-8) 0.98 4.85 -32.05 3 2 1 30 169.292 3
Mid Mid (pH 6-8) 0.98 3.28 -36.51 3 2 1 31 169.292 3

Activity (Go SEA)

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

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