UCSF

ZINC41237551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 25 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) 3.39 3.92 -12.05 2 6 0 85 360.435 4
Hi High (pH 8-9.5) 3.39 4.41 -42.14 1 6 -1 87 359.427 4

Activity (Go SEA)

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