UCSF

ZINC44459183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 25 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) -0.92 1.44 -29.96 3 9 0 124 363.399 6
Hi High (pH 8-9.5) -1.10 0.11 -61.8 2 9 -1 131 362.391 6

Activity (Go SEA)

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