UCSF

ZINC34721096

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 34 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) 5.50 16.57 -26.96 2 7 1 83 466.602 12
Mid Mid (pH 6-8) 5.50 16.29 -16.32 1 7 0 82 465.594 12
Mid Mid (pH 6-8) 5.50 16.46 -26.18 2 7 0 87 466.602 12
Lo Low (pH 4.5-6) 5.50 16.4 -33.3 3 7 0 88 467.61 12

Activity (Go SEA)

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