UCSF

ZINC27529529

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 36 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) -0.08 -0.43 -115.63 6 10 2 117 512.692 18
Hi High (pH 8-9.5) -0.08 -1.84 -60.64 5 10 1 113 511.684 18
Lo Low (pH 4.5-6) -0.08 1.91 -191.35 7 10 3 118 513.7 18

Activity (Go SEA)

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