UCSF

ZINC31959811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.97 4.71 -54.57 4 4 1 70 280.348 4
Hi High (pH 8-9.5) 1.79 2.83 -44.99 2 4 -1 74 278.332 4
Mid Mid (pH 6-8) 1.97 4.23 -16.44 3 4 0 68 279.34 4
Mid Mid (pH 6-8) 1.79 3.54 -42.85 3 4 0 76 279.34 4

Activity (Go SEA)

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