UCSF

ZINC21013053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 2.59 0.47 -13.87 4 5 0 92 298.408 3
Hi High (pH 8-9.5) 2.59 0.92 -45.05 3 5 -1 95 297.4 3

Activity (Go SEA)

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