UCSF

ZINC46722739

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 19 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) 2.83 7.18 -38.58 2 4 1 43 265.377 7
Hi High (pH 8-9.5) 2.83 4.65 -9.01 1 4 0 42 264.369 7

Activity (Go SEA)

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