UCSF

ZINC34849780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 No

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) 2.57 14.45 -57.69 3 6 0 103 444.531 9
Hi High (pH 8-9.5) 2.57 13.44 -62.61 2 6 -1 98 443.523 9

Activity (Go SEA)

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