UCSF

ZINC34736471

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 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) 6.06 12.65 -44.57 3 6 1 81 479.622 7
Hi High (pH 8-9.5) 6.06 11.83 -11.45 2 6 0 77 478.614 7

Activity (Go SEA)

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