UCSF

ZINC26369589

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.86 11.19 -65.05 4 7 1 88 486.621 6
Hi High (pH 8-9.5) 4.86 8.96 -23.34 3 7 0 86 485.613 6

Activity (Go SEA)

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