UCSF

ZINC71771486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2011 20 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) 2.50 6.51 -2.75 4 4 0 59 268.364 2
Mid Mid (pH 6-8) 2.50 6.36 -42.74 5 4 1 60 269.372 2
Lo Low (pH 4.5-6) 2.50 6.2 -111.47 6 4 2 62 270.38 2

Activity (Go SEA)

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