UCSF

ZINC26147911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 19 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) 3.38 5.35 -7.26 0 4 0 41 293.157 2
Lo Low (pH 4.5-6) 3.38 5.78 -37.52 1 4 1 42 294.165 2

Activity (Go SEA)

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