UCSF

ZINC31994890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.57 9.51 -103.02 3 2 2 21 274.452 3
Hi High (pH 8-9.5) 3.57 8.09 -36.77 2 2 1 16 273.444 3

Activity (Go SEA)

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