UCSF

ZINC71150688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) -0.46 1.08 -93.56 3 5 2 37 258.41 6
Mid Mid (pH 6-8) -0.46 -1.26 -39.29 2 5 1 36 257.402 6
Lo Low (pH 4.5-6) -0.46 3.35 -180.42 4 5 3 38 259.418 6

Activity (Go SEA)

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