UCSF

ZINC62993116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.75 11.14 -54.05 1 7 0 66 501.603 8
Mid Mid (pH 6-8) 4.75 11.04 -13.47 0 7 0 64 500.595 8

Activity (Go SEA)

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

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