UCSF

ZINC20458718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 2.42 9.56 -68.26 1 4 -1 73 258.297 4
Mid Mid (pH 6-8) 2.42 8.73 -26.97 2 4 0 76 259.305 4
Mid Mid (pH 6-8) 3.72 8.37 -134.35 0 4 -2 76 257.289 4
Lo Low (pH 4.5-6) 3.72 7.69 -36.89 2 4 0 74 259.305 4

Activity (Go SEA)

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