UCSF

ZINC43364385

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 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) 2.52 8.32 -117.69 4 3 2 45 274.408 6
Hi High (pH 8-9.5) 2.52 5.86 -4.13 2 3 0 42 272.392 6
Mid Mid (pH 6-8) 2.52 6.72 -46.48 3 3 1 44 273.4 6

Activity (Go SEA)

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