UCSF

ZINC62947386

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.22 2.94 -14.94 2 5 0 70 189.222 1
Lo Low (pH 4.5-6) 0.22 3.4 -39.93 3 5 1 71 190.23 1

Activity (Go SEA)

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

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