UCSF

ZINC57766858

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 25 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) 2.47 4.51 -11.59 1 6 0 60 350.459 9
Lo Low (pH 4.5-6) 2.47 6.43 -47.11 2 6 1 61 351.467 9

Activity (Go SEA)

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