UCSF

ZINC31909574

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 3.72 11.81 -86.69 4 4 2 49 336.483 3
Hi High (pH 8-9.5) 3.72 10.41 -11.49 2 4 0 47 334.467 3
Hi High (pH 8-9.5) 3.72 10.82 -25.33 3 4 1 48 335.475 3
Mid Mid (pH 6-8) 3.72 11.39 -41.14 3 4 1 48 335.475 3

Activity (Go SEA)

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