UCSF

ZINC20620017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 23 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) 3.87 6.54 -49.68 0 5 -1 57 324.385 4
Lo Low (pH 4.5-6) 3.14 6.7 -12.77 1 5 0 60 325.393 4

Activity (Go SEA)

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