UCSF

ZINC23583747

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 23 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) 3.36 4.29 -36.11 2 8 -1 131 334.695 4
Mid Mid (pH 6-8) 3.36 4.52 -45.89 2 8 -1 131 334.695 4
Lo Low (pH 4.5-6) 3.36 3.51 -26.02 3 8 0 128 335.703 4

Activity (Go SEA)

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