UCSF

ZINC67029258

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 21 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) 2.39 5.81 -37.42 1 5 -1 70 324.451 3
Mid Mid (pH 6-8) 3.14 6.9 -11.82 2 5 0 63 325.459 4

Activity (Go SEA)

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

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