UCSF

ZINC31909312

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) 2.64 8.25 -11.9 2 5 0 56 336.439 3
Mid Mid (pH 6-8) 2.64 8.67 -28.29 3 5 1 57 337.447 3
Lo Low (pH 4.5-6) 2.64 9.69 -90.7 4 5 2 58 338.455 3

Activity (Go SEA)

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