UCSF

ZINC31995734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 3.30 3.89 -50.36 4 2 1 48 234.706 2
Hi High (pH 8-9.5) 3.30 4.68 -71.65 3 2 0 51 233.698 2

Activity (Go SEA)

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