UCSF

ZINC35641323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.81 12.14 -10.44 1 7 0 65 521.42 7
Mid Mid (pH 6-8) 5.81 13.8 -46.02 2 7 1 66 522.428 7

Activity (Go SEA)

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

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