UCSF

ZINC34860442

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 2.78 6.99 -48.51 2 8 1 100 489.662 8
Hi High (pH 8-9.5) 2.78 4.75 -13.14 1 8 0 99 488.654 8

Activity (Go SEA)

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