UCSF

ZINC06129733

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 13 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) -0.79 3.09 -81.04 2 5 0 74 186.211 5
Hi High (pH 8-9.5) -0.79 0.56 -63.22 1 5 -1 72 185.203 5

Activity (Go SEA)

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