UCSF

ZINC54874742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.54 7.54 -10.99 2 6 0 79 399.878 5
Hi High (pH 8-9.5) 2.72 7.58 -49.91 1 6 -1 85 398.87 5

Activity (Go SEA)

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