UCSF

ZINC34841311

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.40 3.09 -42.68 3 3 1 50 213.688 3
Hi High (pH 8-9.5) 2.40 2.84 -4.42 2 3 0 48 212.68 3

Activity (Go SEA)

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