UCSF

ZINC68957798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 28 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) 2.86 8.94 -15.62 0 7 0 75 383.448 8
Mid Mid (pH 6-8) 2.86 11.11 -40.76 1 7 1 77 384.456 8

Activity (Go SEA)

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

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