UCSF

ZINC07435777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2006 21 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) 1.91 4.9 -52.87 4 5 1 77 290.387 5
Hi High (pH 8-9.5) 1.91 2.71 -17.29 3 5 0 75 289.379 5

Activity (Go SEA)

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