UCSF

ZINC42317140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) -1.30 -3.47 -40 6 7 1 126 218.233 6
Hi High (pH 8-9.5) -1.30 -3.82 -10.66 5 7 0 125 217.225 6
Hi High (pH 8-9.5) -1.12 -5.8 -31.64 5 7 0 132 217.225 6

Activity (Go SEA)

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