UCSF

ZINC19687865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 0.85 3.96 -37.78 2 4 1 40 240.371 3
Hi High (pH 8-9.5) 0.85 2.6 -5.85 1 4 0 36 239.363 3
Mid Mid (pH 6-8) 0.85 5.89 -94.05 3 4 2 41 241.379 3

Activity (Go SEA)

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