UCSF

ZINC49292672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) 0.61 6.32 -106.42 3 4 2 41 241.379 5
Hi High (pH 8-9.5) 0.61 5.23 -39.28 2 4 1 37 240.371 5
Mid Mid (pH 6-8) 0.61 3.93 -40.33 2 4 1 40 240.371 5

Activity (Go SEA)

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

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