UCSF

ZINC19470297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 0.66 3.55 -52.13 3 5 1 64 283.421 6
Lo Low (pH 4.5-6) 0.66 3.92 -86.48 4 5 2 65 284.429 6

Activity (Go SEA)

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