UCSF

ZINC41577291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.57 9.66 -48.5 2 5 1 46 368.501 7
Hi High (pH 8-9.5) 2.57 7.25 -9.5 1 5 0 45 367.493 7

Activity (Go SEA)

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