UCSF

ZINC34844452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) 0.82 5.69 -62.91 5 9 1 127 455.535 8
Mid Mid (pH 6-8) 0.82 5.45 -23.92 4 9 0 125 454.527 8

Activity (Go SEA)

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