UCSF

ZINC58126876

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.58 6.78 -8.84 0 5 0 36 331.46 4
Lo Low (pH 4.5-6) 2.58 8.93 -43.47 1 5 1 37 332.468 4

Activity (Go SEA)

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