UCSF

ZINC71489278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 32 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) 4.18 12.14 -19.83 1 8 0 102 430.464 7
Lo Low (pH 4.5-6) 4.18 13.45 -44.28 2 8 1 103 431.472 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.