UCSF

ZINC39557487

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 36 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) 6.38 14.93 -17.75 1 8 0 105 473.492 5
Mid Mid (pH 6-8) 6.38 15.31 -32.76 2 8 1 106 474.5 5

Activity (Go SEA)

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