UCSF

ZINC41513397

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) 5.42 11.64 -41.5 2 4 1 55 392.519 4
Mid Mid (pH 6-8) 5.42 12.41 -28.09 1 4 0 58 391.511 4

Activity (Go SEA)

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