UCSF

ZINC19864016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 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) 0.25 1.41 -89.14 4 4 2 45 217.357 6
Hi High (pH 8-9.5) 0.25 -2.41 -4.28 2 4 0 39 215.341 6
Mid Mid (pH 6-8) 0.25 -0.9 -43.98 3 4 1 43 216.349 6

Activity (Go SEA)

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