UCSF

ZINC36933129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 3.09 5.46 -2.76 1 3 0 24 276.424 5
Mid Mid (pH 6-8) 3.09 6.45 -39.07 2 3 1 29 277.432 5
Lo Low (pH 4.5-6) 3.09 7.87 -33.31 2 3 1 26 277.432 5
Lo Low (pH 4.5-6) 3.09 8.35 -117.54 3 3 2 30 278.44 5

Activity (Go SEA)

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