UCSF

ZINC40661259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 2.91 11.97 -14.01 0 12 0 134 444.448 8
Lo Low (pH 4.5-6) 2.91 12.84 -35.66 1 12 1 135 445.456 8

Activity (Go SEA)

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

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