UCSF

ZINC51471687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.94 5.45 -47.1 3 5 1 63 296.366 8
Hi High (pH 8-9.5) 1.94 3.31 -13.9 2 5 0 61 295.358 8

Activity (Go SEA)

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