UCSF

ZINC43664448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 43 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) 10.28 27.5 -56.72 1 4 -1 61 600.993 33
Lo Low (pH 4.5-6) 10.28 25.52 -8.62 2 4 0 59 602.001 33

Activity (Go SEA)

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