UCSF

ZINC31993295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.68 5.33 -85.41 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 0.68 5.74 -108.22 3 3 2 21 227.396 3
Hi High (pH 8-9.5) 0.68 2.79 -38.8 2 3 1 23 226.388 3
Mid Mid (pH 6-8) 0.68 4.71 -102.65 3 3 2 24 227.396 3
Lo Low (pH 4.5-6) 0.68 7.23 -192.05 4 3 3 25 228.404 3

Activity (Go SEA)

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