UCSF

ZINC01648788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 32 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) 5.29 12.43 -109.32 0 6 -2 107 424.408 4
Mid Mid (pH 6-8) 5.29 12.62 -109.6 0 6 -2 107 424.408 4
Mid Mid (pH 6-8) 5.29 10.46 -32.44 2 6 0 101 426.424 4
Mid Mid (pH 6-8) 5.29 11.83 -61.83 1 6 -1 104 425.416 4
Lo Low (pH 4.5-6) 5.29 11.23 -25.39 2 6 0 101 426.424 4

Activity (Go SEA)

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