UCSF

ZINC34691865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 1.69 6.06 -15.54 0 8 0 64 483.609 10
Mid Mid (pH 6-8) 1.69 8.31 -60.23 1 8 1 65 484.617 10
Lo Low (pH 4.5-6) 1.69 10.58 -122.1 2 8 2 66 485.625 10

Activity (Go SEA)

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