UCSF

ZINC42490053

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.60 5.81 -99.24 4 3 2 41 228.38 9
Hi High (pH 8-9.5) 1.60 6.35 -36.41 3 3 1 44 227.372 9
Hi High (pH 8-9.5) 1.60 4.52 -33.35 3 3 1 37 227.372 9

Activity (Go SEA)

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