UCSF

ZINC36883937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 Yes

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) 0.69 4.15 -47.78 3 4 1 47 247.366 4
Mid Mid (pH 6-8) 0.69 4.46 -86.4 4 4 2 48 248.374 4
Mid Mid (pH 6-8) 0.69 6.05 -128.9 4 4 2 48 248.374 4
Lo Low (pH 4.5-6) 0.69 6.38 -197.18 5 4 3 49 249.382 4

Activity (Go SEA)

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