UCSF

ZINC20264290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.86 8.9 -94.62 4 2 2 32 274.383 5
Hi High (pH 8-9.5) 2.86 6.46 -50 3 2 1 31 273.375 5
Hi High (pH 8-9.5) 2.86 8.51 -36.47 3 2 1 30 273.375 5
Hi High (pH 8-9.5) 2.86 5.88 -4.91 2 2 0 29 272.367 5

Activity (Go SEA)

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