UCSF

ZINC52870800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.54 7.49 -32.33 2 4 1 45 319.469 6
Hi High (pH 8-9.5) 2.54 5.43 -11.33 1 4 0 44 318.461 6

Activity (Go SEA)

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