UCSF

ZINC53159326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.99 10.24 -14.04 1 2 0 21 310.756 2
Hi High (pH 8-9.5) 4.71 9.99 -40.76 0 2 -1 18 309.748 2

Activity (Go SEA)

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