UCSF

ZINC34860772

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 4.42 10.93 -12.59 0 7 0 60 482.584 7
Mid Mid (pH 6-8) 4.42 13.14 -54.09 1 7 1 61 483.592 7

Activity (Go SEA)

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