UCSF

ZINC31909302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.34 9.39 -47.5 3 5 1 51 336.463 4
Mid Mid (pH 6-8) 2.34 7.08 -11.72 2 5 0 50 335.455 4
Mid Mid (pH 6-8) 2.34 8.47 -41.43 3 5 1 51 336.463 4
Lo Low (pH 4.5-6) 2.34 9.81 -79.6 4 5 2 52 337.471 4

Activity (Go SEA)

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