UCSF

ZINC06969756

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 22 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) 3.55 5.98 -10.9 2 5 0 75 331.784 3
Hi High (pH 8-9.5) 3.55 6.98 -45.66 1 5 -1 78 330.776 3

Activity (Go SEA)

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