UCSF

ZINC22590268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 19 No

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) -3.50 -2.63 -103.75 7 7 2 106 273.381 11
Hi High (pH 8-9.5) -3.50 -4.01 -50.65 6 7 1 101 272.373 11
Mid Mid (pH 6-8) -3.50 -2.61 -94.99 7 7 2 106 273.381 11
Mid Mid (pH 6-8) -3.50 -1.21 -190.54 8 7 3 110 274.389 11
Mid Mid (pH 6-8) -3.50 -1.21 -187.55 8 7 3 110 274.389 11

Activity (Go SEA)

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