UCSF

ZINC20094052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.56 10.16 -38.47 2 2 1 16 281.423 5
Hi High (pH 8-9.5) 3.56 7.51 -3.29 1 2 0 15 280.415 5
Mid Mid (pH 6-8) 3.56 8.87 -39.77 2 2 1 20 281.423 5
Lo Low (pH 4.5-6) 3.56 11.36 -124.06 3 2 2 21 282.431 5

Activity (Go SEA)

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