UCSF

ZINC22936440

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 2.32 5.71 -48.79 2 4 1 38 293.431 8
Mid Mid (pH 6-8) 2.32 6.72 -37.91 2 4 1 35 293.431 8
Lo Low (pH 4.5-6) 2.32 8.03 -122.59 3 4 2 40 294.439 8

Activity (Go SEA)

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