UCSF

ZINC31978505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.32 7.83 -91.4 4 3 2 41 278.44 6
Hi High (pH 8-9.5) 3.32 5.71 -44.46 3 3 1 40 277.432 6

Activity (Go SEA)

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