UCSF

ZINC01373950

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 43 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) 2.47 9.11 -22.21 1 11 0 117 586.624 11
Lo Low (pH 4.5-6) 2.47 11.51 -66.61 2 11 1 118 587.632 11

Activity (Go SEA)

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

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