UCSF

ZINC43894545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.92 8.69 -109.9 3 3 2 34 265.445 8
Hi High (pH 8-9.5) 2.92 8.42 -37.69 2 3 1 33 264.437 8
Mid Mid (pH 6-8) 2.92 9.13 -83.69 3 3 2 34 265.445 8
Mid Mid (pH 6-8) 2.92 7.83 -35.64 2 3 1 29 264.437 8

Activity (Go SEA)

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