UCSF

ZINC43969874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.77 8.44 -99.06 3 3 2 30 278.44 9
Hi High (pH 8-9.5) 2.77 5.86 -1.79 1 3 0 24 276.424 9
Mid Mid (pH 6-8) 2.77 6.76 -36.82 2 3 1 29 277.432 9
Mid Mid (pH 6-8) 2.77 7.73 -32.07 2 3 1 26 277.432 9

Activity (Go SEA)

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