UCSF

ZINC53134050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 12 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) 0.43 5.36 -12.77 0 2 0 30 159.188 3
Lo Low (pH 4.5-6) 0.43 5.82 -37.99 1 2 1 31 160.196 3

Activity (Go SEA)

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