UCSF

ZINC43395872

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.77 -0.46 -43.48 6 5 1 96 207.257 3
Hi High (pH 8-9.5) -0.77 -0.79 -10.25 5 5 0 94 206.249 3
Lo Low (pH 4.5-6) -0.77 -0.16 -95.36 7 5 2 97 208.265 3

Activity (Go SEA)

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