UCSF

ZINC09191746

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 37 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) -0.64 12.2 -35.92 3 9 1 116 495.563 7
Lo Low (pH 4.5-6) -0.64 12.64 -92.33 4 9 2 117 496.571 7

Activity (Go SEA)

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