UCSF

ZINC25393376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 1.51 7.86 -18.4 1 6 0 77 356.451 5
Lo Low (pH 4.5-6) 1.51 8.31 -54.04 2 6 1 78 357.459 5

Activity (Go SEA)

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