UCSF

ZINC63730680

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.41 12.5 -37.5 1 5 1 36 369.942 9
Hi High (pH 8-9.5) 3.41 10.01 -11.83 0 5 0 35 368.934 9

Activity (Go SEA)

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

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