UCSF

ZINC38743539

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.42 2.21 -42.36 2 5 1 73 316.815 3
Mid Mid (pH 6-8) 2.42 2.22 -47.96 1 5 0 75 315.807 3

Activity (Go SEA)

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

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