UCSF

ZINC29124333

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 20 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) 2.06 4.48 -18.42 2 8 0 117 295.276 4
Hi High (pH 8-9.5) 2.06 5.38 -58.91 1 8 -1 120 294.268 4
Hi High (pH 8-9.5) 1.58 4.47 -110.68 0 8 -2 126 293.26 4
Hi High (pH 8-9.5) 1.58 3.57 -33.42 1 8 -1 124 294.268 4

Activity (Go SEA)

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