UCSF

ZINC19537521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 17 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) 2.07 5.63 -35.33 1 3 1 17 235.351 4
Mid Mid (pH 6-8) 2.07 5.65 -37.21 1 3 1 17 235.351 4
Mid Mid (pH 6-8) 2.07 3.26 -3.54 0 3 0 16 234.343 4

Activity (Go SEA)

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