UCSF

ZINC62809534

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -1.76 -7.61 -44.53 2 8 -1 126 246.224 2
Mid Mid (pH 6-8) -2.22 -5.88 -19.39 3 8 0 123 247.232 2
Mid Mid (pH 6-8) -1.76 -8.52 -56.98 2 8 -1 126 246.224 2

Activity (Go SEA)

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

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