UCSF

ZINC21948714

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 0.36 0.36 -47.83 4 3 1 57 182.243 3
Hi High (pH 8-9.5) 0.36 -0.22 -5.96 3 3 0 55 181.235 3

Activity (Go SEA)

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