UCSF

ZINC25881551

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 24 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) 3.61 3.31 -20.3 5 6 0 104 321.336 3
Hi High (pH 8-9.5) 3.61 4.31 -71.3 4 6 -1 107 320.328 3

Activity (Go SEA)

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