UCSF

ZINC37994237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) -0.14 5.77 -47.24 1 7 -1 106 288.283 4
Hi High (pH 8-9.5) 0.32 3.96 -121.91 0 7 -2 109 287.275 4

Activity (Go SEA)

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