UCSF

ZINC90608732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2013 24 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) 4.09 6.85 -39.86 4 5 1 75 329.42 7
Hi High (pH 8-9.5) 4.09 6.48 -6.3 3 5 0 74 328.412 7

Activity (Go SEA)

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

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