UCSF

ZINC34980747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.14 7.97 -35.84 1 4 1 34 277.388 6
Hi High (pH 8-9.5) 2.14 5.77 -10.63 0 4 0 33 276.38 6
Mid Mid (pH 6-8) 2.14 7.91 -33.64 1 4 1 34 277.388 6

Activity (Go SEA)

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