UCSF

ZINC26579073

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 12 No

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) 1.36 1.53 -11.25 1 3 0 47 170.139 2
Hi High (pH 8-9.5) 1.36 2.47 -47.73 0 3 -1 49 169.131 2

Activity (Go SEA)

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