UCSF

ZINC41014879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.78 12.97 -17.09 1 5 0 60 430.529 7
Hi High (pH 8-9.5) 5.96 10.42 -49.77 0 5 -1 67 429.521 7

Activity (Go SEA)

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