UCSF

ZINC26673647

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 13 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) -0.85 -2.21 -38.41 5 5 1 91 186.235 3
Hi High (pH 8-9.5) -0.85 -2.55 -12.9 4 5 0 89 185.227 3

Activity (Go SEA)

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