UCSF

ZINC19636834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.19 6.46 -34.12 1 3 1 11 276.448 6
Hi High (pH 8-9.5) 2.19 6.46 -36.96 1 3 1 11 276.448 6
Lo Low (pH 4.5-6) 2.19 11.18 -191.55 3 3 3 13 278.464 6
Lo Low (pH 4.5-6) 2.19 8.93 -106.68 2 3 2 12 277.456 6

Activity (Go SEA)

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