UCSF

ZINC25521711

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 No

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) 3.80 11.54 -31.19 1 9 0 109 440.529 5
Hi High (pH 8-9.5) 3.87 10.63 -46.98 0 9 -1 115 439.521 5

Activity (Go SEA)

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