UCSF

ZINC50285953

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 18 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) 1.13 6.23 -50.09 3 4 0 71 248.326 4
Hi High (pH 8-9.5) 1.13 5.79 -49.46 2 4 -1 69 247.318 4
Mid Mid (pH 6-8) 1.13 6.85 -67.55 4 4 1 72 249.334 4

Activity (Go SEA)

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