UCSF

ZINC43395871

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 -0.45 -43.38 6 5 1 96 207.257 3
Hi High (pH 8-9.5) -0.77 -0.77 -9.55 5 5 0 94 206.249 3
Lo Low (pH 4.5-6) -0.77 -0.14 -95.8 7 5 2 97 208.265 3

Activity (Go SEA)

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