UCSF

ZINC25757754

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 22 Yes

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) 2.90 5.15 -49.55 2 5 0 66 347.242 5
Ref Reference (pH 7) 2.97 0.81 -32.5 3 5 1 66 348.25 5
Hi High (pH 8-9.5) 2.90 2.82 -40.84 1 5 -1 65 346.234 5
Mid Mid (pH 6-8) 2.97 1.58 -43.13 2 5 0 69 347.242 5

Activity (Go SEA)

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