UCSF

ZINC31995096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.43 9.5 -119.14 3 2 2 21 288.479 3
Hi High (pH 8-9.5) 3.43 7.55 -39.07 2 2 1 20 287.471 3
Hi High (pH 8-9.5) 3.43 8.33 -34.19 2 2 1 16 287.471 3

Activity (Go SEA)

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