UCSF

ZINC49237590

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 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) 0.53 3.23 -42.37 4 5 1 77 262.333 6
Hi High (pH 8-9.5) 0.53 0.83 -13.61 3 5 0 75 261.325 6

Activity (Go SEA)

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