UCSF

ZINC31718889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 30 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) 2.52 4.46 -17.37 3 8 0 103 429.908 6
Mid Mid (pH 6-8) 2.52 4.72 -48.58 4 8 1 105 430.916 6

Activity (Go SEA)

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