UCSF

ZINC37328310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.87 8.01 -45.48 3 2 1 31 273.425 3
Hi High (pH 8-9.5) 2.87 7.63 -3.37 2 2 0 29 272.417 3

Activity (Go SEA)

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