UCSF

ZINC45698761

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.77 8.3 -93.97 3 3 2 45 233.359 7
Hi High (pH 8-9.5) 1.77 6.96 -36.72 2 3 1 40 232.351 7

Activity (Go SEA)

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