UCSF

ZINC42580758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.39 5.17 -100.06 4 3 2 41 228.38 8
Hi High (pH 8-9.5) 1.39 5.69 -36.36 3 3 1 44 227.372 8
Hi High (pH 8-9.5) 1.39 3.81 -32.74 3 3 1 37 227.372 8

Activity (Go SEA)

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