UCSF

ZINC53612790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 14 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) 1.43 6.69 -38.18 2 3 1 34 212.342 5
Lo Low (pH 4.5-6) 1.43 7.09 -86.25 3 3 2 36 213.35 5

Activity (Go SEA)

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