UCSF

ZINC34627226

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) 2.77 7.22 -11.27 2 6 0 69 416.525 7
Lo Low (pH 4.5-6) 2.77 9.18 -46.37 3 6 1 70 417.533 7

Activity (Go SEA)

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