UCSF

ZINC71489212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 34 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) 4.10 12.47 -19.1 1 7 0 86 452.514 6
Lo Low (pH 4.5-6) 4.10 13.1 -38.2 2 7 1 87 453.522 6

Activity (Go SEA)

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

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