UCSF

ZINC42317143

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 -40.47 6 7 1 126 218.233 6
Hi High (pH 8-9.5) -1.30 -3.79 -11.34 5 7 0 125 217.225 6
Hi High (pH 8-9.5) -1.12 -5.2 -30.83 5 7 0 132 217.225 6

Activity (Go SEA)

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