UCSF

ZINC57983743

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 22 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) 1.30 6.07 -51.5 3 7 1 87 299.358 5
Hi High (pH 8-9.5) 1.30 3.59 -15.34 2 7 0 86 298.35 5

Activity (Go SEA)

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

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