UCSF

ZINC42443808

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 2.13 6.03 -2.33 2 2 0 29 208.33 1
Lo Low (pH 4.5-6) 2.13 5.9 -41.92 3 2 1 31 209.338 1

Activity (Go SEA)

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