UCSF

ZINC43308022

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 34 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) 5.88 12.42 -104.35 7 6 2 105 482.798 21
Hi High (pH 8-9.5) 5.88 12.12 -50.75 6 6 1 103 481.79 21

Activity (Go SEA)

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