UCSF

ZINC19401814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 2.37 6.92 -36.54 1 3 1 21 260.405 3
Hi High (pH 8-9.5) 2.37 4.66 -4.18 0 3 0 19 259.397 3
Mid Mid (pH 6-8) 2.37 6.98 -32.5 1 3 1 21 260.405 3
Lo Low (pH 4.5-6) 2.37 7.31 -85.11 2 3 2 22 261.413 3

Activity (Go SEA)

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