UCSF

ZINC67935478

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 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) 3.77 11.5 -38.43 2 4 1 46 333.459 3
Mid Mid (pH 6-8) 3.77 9.99 -12.21 1 4 0 45 332.451 3
Mid Mid (pH 6-8) 3.77 10.51 -31.06 2 4 1 46 333.459 3

Activity (Go SEA)

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

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