UCSF

ZINC25188824

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.31 8.17 -46.77 3 5 1 63 352.458 8
Hi High (pH 8-9.5) 2.31 6.05 -14.99 2 5 0 61 351.45 8

Activity (Go SEA)

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