UCSF

ZINC03672887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 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) 3.71 5.77 -6.04 1 2 0 33 228.078 1
Hi High (pH 8-9.5) 3.71 5.33 -30.77 0 2 -1 31 227.07 1

Activity (Go SEA)

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