UCSF

ZINC31963403

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) 1.83 5.26 -58.71 4 5 1 83 297.448 7
Hi High (pH 8-9.5) 2.02 4.19 -62.78 3 5 0 89 296.44 7

Activity (Go SEA)

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