UCSF

ZINC36889366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 0.76 3.03 -81.8 4 7 0 117 299.714 6
Hi High (pH 8-9.5) 0.76 0.81 -68.67 3 7 -1 116 298.706 6

Activity (Go SEA)

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