UCSF

ZINC20596076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 0.77 4.26 -106.26 4 3 2 35 235.375 4
Hi High (pH 8-9.5) 0.77 3.92 -34.28 3 3 1 34 234.367 4
Mid Mid (pH 6-8) 0.76 4.71 -119.92 4 3 2 35 235.375 4
Mid Mid (pH 6-8) 0.76 2.67 -43.33 3 3 1 34 234.367 4
Mid Mid (pH 6-8) 0.76 4.23 -31.14 3 3 1 34 234.367 4
Mid Mid (pH 6-8) 0.76 2.32 -1.81 2 3 0 32 233.359 4

Activity (Go SEA)

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