UCSF

ZINC06920199

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 24 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) -0.68 0.63 -18.58 3 8 0 125 346.368 4
Hi High (pH 8-9.5) -0.68 0.12 -41.33 2 8 -1 127 345.36 4
Lo Low (pH 4.5-6) -0.68 0.9 -54.49 4 8 1 126 347.376 4

Activity (Go SEA)

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