UCSF

ZINC39846869

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.93 10.95 -24.28 1 6 0 78 484.883 9
Hi High (pH 8-9.5) 5.12 8.7 -51.9 0 6 -1 84 483.875 9

Activity (Go SEA)

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