UCSF

ZINC25489494

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.49 8.12 -10.2 1 3 0 46 274.751 3
Hi High (pH 8-9.5) 3.95 6.08 -47.06 0 3 -1 49 273.743 3

Activity (Go SEA)

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