UCSF

ZINC43992827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 2.42 8.25 -102.41 3 3 2 36 223.364 4
Hi High (pH 8-9.5) 2.42 7.74 -43.75 2 3 1 34 222.356 4

Activity (Go SEA)

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