UCSF

ZINC34667752

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 2.72 8.57 -20 1 8 0 84 446.507 6
Lo Low (pH 4.5-6) 2.72 8.92 -49.17 2 8 1 85 447.515 6

Activity (Go SEA)

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