UCSF

ZINC62040703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 30 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) 1.16 3.57 -104.57 3 9 0 139 435.55 10
Mid Mid (pH 6-8) 1.16 1.32 -63.72 2 9 -1 138 434.542 10

Activity (Go SEA)

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

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