UCSF

ZINC56752140

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2011 26 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) 3.10 10.05 -44.61 2 5 1 67 352.458 9
Hi High (pH 8-9.5) 3.10 7.88 -11.65 1 5 0 65 351.45 9

Activity (Go SEA)

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