UCSF

ZINC67868080

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 20 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) 1.15 7.63 -115.46 3 4 2 41 281.444 4
Hi High (pH 8-9.5) 1.15 3.9 -8.47 1 4 0 36 279.428 4
Hi High (pH 8-9.5) 1.15 5.24 -44.54 2 4 1 40 280.436 4
Mid Mid (pH 6-8) 1.15 6.29 -40.64 2 4 1 37 280.436 4

Activity (Go SEA)

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