UCSF

ZINC69976623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 No

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) 0.22 2.86 -34.42 2 7 1 66 313.422 6
Mid Mid (pH 6-8) 0.22 0.68 -8.83 1 7 0 65 312.414 6
Mid Mid (pH 6-8) 0.22 2.94 -34.77 2 7 1 66 313.422 6

Activity (Go SEA)

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

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