UCSF

ZINC21806565

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.77 2.01 -50.41 3 7 -1 112 320.379 4
Mid Mid (pH 6-8) 2.70 2.58 -40.96 5 7 1 114 322.395 3
Mid Mid (pH 6-8) 1.77 2.5 -47.96 4 7 0 113 321.387 4
Lo Low (pH 4.5-6) 1.77 1.62 -13.88 4 7 0 110 321.387 4

Activity (Go SEA)

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