UCSF

ZINC31964471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) -0.58 0.61 -74.48 5 8 1 114 324.357 6
Hi High (pH 8-9.5) -0.58 0.21 -24.76 4 8 0 112 323.349 6

Activity (Go SEA)

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