UCSF

ZINC43404327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.21 4.22 -43.73 4 3 1 61 229.303 2
Hi High (pH 8-9.5) 2.21 3.82 -11.55 3 3 0 59 228.295 2

Activity (Go SEA)

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