UCSF

ZINC31890257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

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) 1.52 4.77 -42.05 1 3 1 21 230.382 2
Hi High (pH 8-9.5) 1.52 2.79 -47.46 0 3 -1 19 228.366 2
Mid Mid (pH 6-8) 1.52 2.31 -5.27 0 3 0 19 229.374 2

Activity (Go SEA)

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