UCSF

ZINC21538305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 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) 4.45 15.39 -18.44 1 7 0 67 483.592 7
Mid Mid (pH 6-8) 1.98 15.01 -24.23 1 7 0 76 482.584 7
Mid Mid (pH 6-8) 1.98 12.86 -46.41 2 7 1 77 483.592 7

Activity (Go SEA)

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

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