UCSF

ZINC48659181

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 15 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) -0.48 1.82 -40.83 3 5 1 65 211.289 5
Hi High (pH 8-9.5) -0.48 -0.24 -11.71 2 5 0 64 210.281 5

Activity (Go SEA)

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