UCSF

ZINC62973791

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.01 1.63 -123.76 4 4 2 45 229.368 4
Mid Mid (pH 6-8) 0.01 -0.58 -41.18 3 4 1 43 228.36 4
Mid Mid (pH 6-8) 0.01 1.33 -31.75 3 4 1 43 228.36 4

Activity (Go SEA)

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

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