UCSF

ZINC01329834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 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) 3.39 -6.84 -18.36 2 8 0 114 432.527 7
Hi High (pH 8-9.5) 3.39 -6.26 -40.98 1 8 -1 116 431.519 7

Activity (Go SEA)

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