UCSF

ZINC52245670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 3.17 10.35 -38.77 1 4 1 34 319.469 9
Hi High (pH 8-9.5) 3.17 8.11 -8.84 0 4 0 33 318.461 9

Activity (Go SEA)

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