UCSF

ZINC66666575

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 Yes

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) 2.02 8.56 -89.27 2 4 2 21 307.482 9
Hi High (pH 8-9.5) 2.02 3.89 -3.74 0 4 0 19 305.466 9
Mid Mid (pH 6-8) 2.02 6.23 -37.81 1 4 1 20 306.474 9

Activity (Go SEA)

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

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