UCSF

ZINC43399747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) -0.03 5.62 -9.63 3 6 0 88 285.351 5
Mid Mid (pH 6-8) -0.03 6.04 -36.81 4 6 1 89 286.359 5
Mid Mid (pH 6-8) -0.03 6.07 -35.53 4 6 1 89 286.359 5
Lo Low (pH 4.5-6) -0.03 6.5 -79.61 5 6 2 90 287.367 5

Activity (Go SEA)

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