UCSF

ZINC34449139

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 34 No

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) 3.44 14.28 -44.98 1 6 1 58 475.638 6
Mid Mid (pH 6-8) 3.44 12.07 -12.06 0 6 0 57 474.63 6

Activity (Go SEA)

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