UCSF

ZINC51444492

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 1.74 6.77 -97.73 3 4 2 43 251.374 5
Hi High (pH 8-9.5) 1.74 4.9 -4.57 1 4 0 37 249.358 5
Mid Mid (pH 6-8) 1.74 6.3 -41.57 2 4 1 42 250.366 5

Activity (Go SEA)

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