UCSF

ZINC52128223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 16 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) 3.34 9.05 -34.81 1 2 1 14 220.336 6
Hi High (pH 8-9.5) 3.34 6.66 -3.78 0 2 0 12 219.328 6

Activity (Go SEA)

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