UCSF

ZINC62039915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 4.56 7.28 -54.83 1 7 -1 107 469.543 5
Lo Low (pH 4.5-6) 4.04 9.28 -17.19 2 7 0 101 470.551 5

Activity (Go SEA)

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

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