UCSF

ZINC19496024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 2.31 7.3 -37.03 1 3 1 21 274.432 3
Hi High (pH 8-9.5) 2.31 5.02 -3.49 0 3 0 19 273.424 3
Mid Mid (pH 6-8) 2.31 7.36 -38.92 1 3 1 21 274.432 3
Lo Low (pH 4.5-6) 2.31 7.74 -86.96 2 3 2 22 275.44 3

Activity (Go SEA)

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