UCSF

ZINC42448949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.57 4.9 -119.3 4 3 2 45 210.321 4
Mid Mid (pH 6-8) 1.57 3.1 -39.75 3 3 1 44 209.313 4
Mid Mid (pH 6-8) 1.57 5.28 -31.88 3 3 1 44 209.313 4

Activity (Go SEA)

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

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