UCSF

ZINC13143860

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 34 Yes

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 4.54 -45.7 3 9 1 104 465.53 6
Mid Mid (pH 6-8) 0.82 6.8 -124.8 4 9 2 105 466.538 6

Activity (Go SEA)

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