UCSF

ZINC63952562

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 22 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) 1.00 0.4 -40.43 6 7 1 96 323.808 4
Lo Low (pH 4.5-6) 1.00 1.71 -114.82 7 7 2 101 324.816 4

Activity (Go SEA)

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

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