UCSF

ZINC34617901

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 2.03 6.94 -36.23 1 2 1 17 209.338 2
Hi High (pH 8-9.5) 2.03 5.04 -3.95 0 2 0 16 208.33 2

Activity (Go SEA)

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