UCSF

ZINC49237075

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 15 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) -1.08 0.62 -48.42 3 6 1 86 211.245 5
Hi High (pH 8-9.5) -1.08 -1.69 -15.34 2 6 0 85 210.237 5

Activity (Go SEA)

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

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