UCSF

ZINC34883586

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 22 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) 3.89 8.69 -32.88 3 2 1 37 294.418 4
Hi High (pH 8-9.5) 3.89 7.94 -3.74 2 2 0 32 293.41 4

Activity (Go SEA)

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