UCSF

ZINC49442782

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 20 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) 1.91 7.78 -50.59 2 4 1 57 278.42 4
Mid Mid (pH 6-8) 1.91 5.86 -15.52 1 4 0 56 277.412 4

Activity (Go SEA)

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