UCSF

ZINC52524588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 30 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) 3.25 8.02 -46.81 4 6 1 75 415.533 11
Hi High (pH 8-9.5) 3.25 6.94 -16.08 3 6 0 73 414.525 11

Activity (Go SEA)

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