UCSF

ZINC62039020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 No

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) 4.50 8.79 -18.37 2 8 0 121 452.517 6
Mid Mid (pH 6-8) 4.50 9.56 -37.65 1 8 -1 124 451.509 6

Activity (Go SEA)

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

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