UCSF

ZINC26511077

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 0.26 0.6 -59.44 4 5 1 77 209.273 3
Hi High (pH 8-9.5) 0.72 0.01 -74.86 3 5 0 80 208.265 3

Activity (Go SEA)

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