UCSF

ZINC52831183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 2.18 6.41 -9.24 1 3 0 38 233.34 3
Mid Mid (pH 6-8) 2.18 6.59 -31.49 2 3 1 39 234.348 3
Mid Mid (pH 6-8) 2.18 6.58 -34.85 2 3 1 39 234.348 3

Activity (Go SEA)

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

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