UCSF

ZINC01757831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 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) -1.31 4.34 -209.71 0 6 -3 120 159.073 4
Mid Mid (pH 6-8) -1.31 2.79 -117.38 1 6 -2 118 160.081 4
Mid Mid (pH 6-8) -1.31 2.33 -114.11 1 6 -2 118 160.081 4
Lo Low (pH 4.5-6) -1.31 0.6 -45.84 2 6 -1 115 161.089 4

Activity (Go SEA)

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