UCSF

ZINC47718850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 15 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) 2.47 7.45 -39.24 1 3 1 30 209.313 4
Hi High (pH 8-9.5) 2.47 5.28 -6.63 0 3 0 29 208.305 4

Activity (Go SEA)

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