UCSF

ZINC25497428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 4.42 10.29 -14.72 2 6 0 80 372.428 5
Hi High (pH 8-9.5) 4.87 8.89 -51.55 1 6 -1 83 371.42 5
Mid Mid (pH 6-8) 4.42 10.71 -44.89 3 6 1 81 373.436 5

Activity (Go SEA)

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