UCSF

ZINC00542006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 22 Yes

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) 1.92 7.3 -45.59 2 5 1 56 301.366 3
Mid Mid (pH 6-8) 1.92 5.13 -16.03 1 5 0 55 300.358 3

Activity (Go SEA)

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

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