UCSF

ZINC21538170

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 5.30 14.9 -6.59 0 5 0 39 473.02 6
Mid Mid (pH 6-8) 2.83 16.67 -14.72 1 5 0 49 473.02 6
Mid Mid (pH 6-8) 2.83 19.01 -65.05 2 5 1 50 474.028 6

Activity (Go SEA)

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

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