UCSF

ZINC41513901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.48 8.92 -44.36 2 5 1 58 434.343 3
Hi High (pH 8-9.5) 4.48 7.12 -38.59 0 5 -1 60 432.327 3
Hi High (pH 8-9.5) 4.48 6.56 -7.14 1 5 0 57 433.335 3
Hi High (pH 8-9.5) 4.48 9.5 -45.37 1 5 0 61 433.335 3

Activity (Go SEA)

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