UCSF

ZINC42186691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.73 4.61 -98.87 4 3 2 41 228.38 5
Hi High (pH 8-9.5) 1.73 5.16 -37.66 3 3 1 44 227.372 5

Activity (Go SEA)

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