UCSF

ZINC31934357

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) 3.71 11.15 -13.64 0 3 0 42 275.355 2
Mid Mid (pH 6-8) 3.71 11.55 -35.52 1 3 1 43 276.363 2

Activity (Go SEA)

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