UCSF

ZINC43700174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -2.28 1.16 -35.3 3 5 0 80 214.265 3
Mid Mid (pH 6-8) -2.28 0.75 -44.33 2 5 -1 79 213.257 3
Mid Mid (pH 6-8) -2.28 2.5 -38.09 3 5 0 80 214.265 3
Lo Low (pH 4.5-6) -2.28 2.88 -83.97 4 5 1 81 215.273 3

Activity (Go SEA)

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