UCSF

ZINC26037410

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 28 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) 5.12 13.1 -31.03 1 5 0 72 410.882 4
Hi High (pH 8-9.5) 5.19 12.17 -59.87 0 5 -1 79 409.874 4

Activity (Go SEA)

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