UCSF

ZINC41348558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 23 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) 0.40 4.29 -43.79 3 6 1 66 325.477 10
Hi High (pH 8-9.5) 0.40 1.92 -12.83 2 6 0 65 324.469 10
Hi High (pH 8-9.5) 0.40 4.17 -46.24 3 6 1 66 325.477 10

Activity (Go SEA)

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