UCSF

ZINC43401181

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.36 7.33 -36.38 4 4 1 68 269.372 4
Mid Mid (pH 6-8) 1.36 8.31 -7.35 3 4 0 66 268.364 4
Lo Low (pH 4.5-6) 1.36 7.78 -91.68 5 4 2 69 270.38 4

Activity (Go SEA)

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