UCSF

ZINC58126938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 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) 3.27 6.37 -9.79 1 5 0 45 345.487 5
Lo Low (pH 4.5-6) 3.27 8.52 -43.81 2 5 1 46 346.495 5

Activity (Go SEA)

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