UCSF

ZINC42221344

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.34 4.07 -10.28 1 5 0 65 217.265 7
Lo Low (pH 4.5-6) 1.34 5.19 -42.02 2 5 1 69 218.273 7

Activity (Go SEA)

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