UCSF

ZINC19338365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 28 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) 0.92 4.31 -60.42 0 7 -1 86 398.464 6
Mid Mid (pH 6-8) 0.92 6.66 -74.57 1 7 0 87 399.472 6
Lo Low (pH 4.5-6) 0.92 5.84 -55.66 2 7 1 84 400.48 6

Activity (Go SEA)

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