UCSF

ZINC53151166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 25 Yes

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) 4.66 8.42 -34.77 2 3 1 28 404.372 6
Lo Low (pH 4.5-6) 4.66 9.07 -39.84 2 3 1 28 404.372 6

Activity (Go SEA)

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