UCSF

ZINC43894933

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) 3.27 9.95 -105.73 3 2 2 21 260.425 5
Hi High (pH 8-9.5) 3.27 7.63 -0.97 1 2 0 15 258.409 5
Mid Mid (pH 6-8) 3.27 10.04 -28.61 2 2 1 16 259.417 5
Mid Mid (pH 6-8) 3.27 8.13 -32.77 2 2 1 20 259.417 5

Activity (Go SEA)

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