UCSF

ZINC31910266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 4.16 9.21 -41.02 3 4 1 48 289.447 6
Mid Mid (pH 6-8) 4.16 7.39 -9.89 2 4 0 47 288.439 6
Mid Mid (pH 6-8) 4.16 9.61 -85.59 4 4 2 49 290.455 6

Activity (Go SEA)

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