UCSF

ZINC39763788

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 36 No

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) 3.41 5.88 -65.52 1 14 -1 208 509.436 8
Hi High (pH 8-9.5) 3.48 3.87 -122.09 0 14 -2 214 508.428 8

Activity (Go SEA)

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