UCSF

ZINC06498150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 16 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) 0.56 0.87 -11.13 1 5 0 72 235.268 3
Hi High (pH 8-9.5) 0.56 0.96 -39.71 0 5 -1 74 234.26 3
Lo Low (pH 4.5-6) 0.56 1.15 -42.32 2 5 1 73 236.276 3
Lo Low (pH 4.5-6) 0.56 1.15 -43.29 2 5 1 73 236.276 3
Lo Low (pH 4.5-6) 0.56 1.43 -92.27 3 5 2 74 237.284 3

Activity (Go SEA)

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