UCSF

ZINC39937314

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 14 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) -2.79 -9.35 -29.68 6 6 1 106 208.234 3
Hi High (pH 8-9.5) -2.79 -8.69 -36.43 5 6 0 108 207.226 3

Activity (Go SEA)

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