UCSF

ZINC37860138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 2.14 6.92 -119.66 4 3 2 41 329.282 6
Hi High (pH 8-9.5) 2.14 3.39 -3.85 2 3 0 35 327.266 6
Mid Mid (pH 6-8) 2.14 5.64 -30.91 3 3 1 37 328.274 6

Activity (Go SEA)

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