UCSF

ZINC43894249

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 1.75 6.93 -107.27 3 3 2 34 249.402 4
Hi High (pH 8-9.5) 1.75 5.03 -32.6 2 3 1 33 248.394 4
Mid Mid (pH 6-8) 1.75 5.73 -89.53 3 3 2 34 249.402 4

Activity (Go SEA)

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