UCSF

ZINC31898336

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 2.76 9.19 -48.48 3 3 1 46 320.412 7
Hi High (pH 8-9.5) 2.76 8.79 -6.51 2 3 0 44 319.404 7

Activity (Go SEA)

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