UCSF

ZINC41514678

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 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) 4.33 11.19 -46.67 2 4 1 55 372.444 5
Hi High (pH 8-9.5) 4.33 9.62 -43.13 0 4 -1 57 370.428 5
Mid Mid (pH 6-8) 4.33 8.85 -8.37 1 4 0 54 371.436 5
Mid Mid (pH 6-8) 4.33 11.95 -30.42 1 4 0 58 371.436 5

Activity (Go SEA)

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