UCSF

ZINC20190738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 1.93 5.55 -59.68 0 9 -1 101 481.525 9
Mid Mid (pH 6-8) 1.93 7.89 -76.29 1 9 0 102 482.533 9
Lo Low (pH 4.5-6) 1.93 7.07 -60.13 2 9 1 99 483.541 9

Activity (Go SEA)

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