UCSF

ZINC42555451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.10 6.94 -36.4 2 3 1 43 216.345 7
Hi High (pH 8-9.5) 3.10 5.77 -3.72 1 3 0 38 215.337 7

Activity (Go SEA)

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