UCSF

ZINC25558713

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 2.86 4.54 -8.56 2 4 0 62 294.763 3
Hi High (pH 8-9.5) 2.86 5.36 -40.88 1 4 -1 65 293.755 3
Hi High (pH 8-9.5) 2.92 4.44 -94.2 0 4 -2 71 292.747 3
Hi High (pH 8-9.5) 2.92 3.09 -41.66 1 4 -1 69 293.755 3

Activity (Go SEA)

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