UCSF

ZINC69950467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 30 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) 3.04 6.06 -9.92 1 6 0 56 424.57 4
Mid Mid (pH 6-8) 3.04 8.33 -43.28 2 6 1 57 425.578 4

Activity (Go SEA)

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

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