UCSF

ZINC40162609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 21 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) 0.86 2.09 -63.8 4 5 1 91 305.379 4
Hi High (pH 8-9.5) 0.86 1.68 -16.63 3 5 0 89 304.371 4

Activity (Go SEA)

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