UCSF

ZINC37220907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.44 9.76 -173.89 4 3 3 25 270.485 6
Mid Mid (pH 6-8) 2.44 8.55 -77.77 3 3 2 21 269.477 6
Mid Mid (pH 6-8) 2.44 7.53 -95.64 3 3 2 24 269.477 6

Activity (Go SEA)

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

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