UCSF

ZINC41513981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 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) 3.75 7.55 -45.86 2 8 1 89 426.493 8
Hi High (pH 8-9.5) 3.75 5.75 -44.7 0 8 -1 91 424.477 8
Hi High (pH 8-9.5) 3.75 8.13 -47.95 1 8 0 92 425.485 8
Hi High (pH 8-9.5) 3.75 5.18 -13.53 1 8 0 88 425.485 8

Activity (Go SEA)

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