UCSF

ZINC31934062

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 1.97 5.82 -61.19 4 8 1 101 405.519 10
Hi High (pH 8-9.5) 1.97 3.61 -30.02 3 8 0 100 404.511 10

Activity (Go SEA)

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